SCHEMBL4209149

SCHEMBL4209149

NCc1cccc(Oc2ccccc2)c1CN

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.66
HRH1 P35367 1/20 0.59
RIPK1 Q13546 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA2C P18825 1/20 0.42
CTNNB1 P35222 1/20 0.42
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
CYP19A1 P11511 1/20 0.41
PLA2G2A P14555 1/20 0.40
MAOA P21397 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 2/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1196716 0.86 HRH1 (0.71) DPP4HRH1RIPK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2462369 0.84 HRH1 (0.69) DPP4HRH1RIPK1SLC6A2SLC6A4
SCHEMBL13687729 0.83 HRH1 (0.58) DPP4HRH1RIPK1SLC6A2SLC6A4
SCHEMBL15345550 0.81 HRH1 (0.56) DPP4HRH1RIPK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL921538 0.81 HRH1 (0.56) DPP4HRH1RIPK1SLC6A2SLC6A4
SCHEMBL6055484 0.81 DPP4 (0.66) DPP4HRH1RIPK1SLC6A2SLC6A4
SCHEMBL15345394 0.80 HRH1 (0.54) DPP4HRH1RIPK1SLC6A2SLC6A4
SCHEMBL27575645 0.79 DPP4 (0.64) DPP4HRH1RIPK1SLC6A2SLC6A4
SCHEMBL112755 0.79 DPP4 (1.00) DPP4HRH1ADRA2CLMNAGAA
SCHEMBL3838135 0.78 HRH1 (0.77) DPP4HRH1RIPK1SLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831806-B1 DIISOCYANATE COMPOSITION FOR OPTICAL LENS AND PREPARATION METHOD THEREOF SK PUCORE CO LTD (KR) 2024-07-10 EP disclosed
US-11987541-B2 Method of preparing diisocyanate composition SK PUCORE CO., LTD. (KR) 2024-05-21 US disclosed
US-11964931-B2 Method of preparing diisocyanate composition and optical lens SK PUCORE CO., LTD. (KR) 2024-04-23 US disclosed
US-11932591-B2 Method of preparing diisocyanate composition and optical lens SKC CO., LTD. (KR) 2024-03-19 US disclosed
US-20230357136-A1 DIAMINE COMPOSITION, AND METHOD OF PREPARING DIISOCYANATE COMPOSITION SK PUCORE CO., LTD. (KR) 2023-11-09 US disclosed
US-11760719-B2 Diamine composition, and method of preparing diisocyanate composition SKC CO., LTD. (KR) 2023-09-19 US disclosed
US-11731936-B2 Diisocyanate composition, preparation method thereof and optical material using same SKC CO., LTD. (KR) 2023-08-22 US disclosed
US-11702384-B2 Diisocyanate composition for optical lens and preparation method thereof SKC CO., LTD. (KR) 2023-07-18 US disclosed
US-11634383-B2 Method of preparing diisocyanate composition SKC CO., LTD. (KR) 2023-04-25 US disclosed
US-11518737-B2 Method of preparing diisocyanate composition and optical lens SKC CO., LTD. (KR) 2022-12-06 US disclosed
US-20210171449-A1 METHOD OF PREPARING DIISOCYANATE COMPOSITION WOORI FINE CHEM CO., LTD. (KR) 2021-06-10 US disclosed
US-20210171443-A1 METHOD OF PREPARING DIISOCYANATE COMPOSITION AND OPTICAL LENS WOORI FINE CHEM CO., LTD. (KR) 2021-06-10 US disclosed
US-20210171452-A1 DIISOCYANATE COMPOSITION FOR OPTICAL LENS AND PREPARATION METHOD THEREOF SK PUCORE CO., LTD. (KR) 2021-06-10 US disclosed
US-20210171445-A1 METHOD OF PREPARING DIISOCYANATE COMPOSITION AND OPTICAL LENS WOORI FINE CHEM CO., LTD. (KR) 2021-06-10 US disclosed
EP-3831806-A1 DIISOCYANATE COMPOSITION FOR OPTICAL LENS AND PREPARATION METHOD THEREOF SKC Co., Ltd. (KR) 2021-06-09 EP disclosed
EP-3831861-A1 DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME SKC Co., Ltd. (KR) 2021-06-09 EP disclosed
EP-3831808-A1 METHOD OF PREPARING DIISOCYANATE COMPOSITION AND OPTICAL LENS SKC Co., Ltd. (KR) 2021-06-09 EP disclosed
US-8183407-B2 Process for production of isocyanate, isocyanate produced by the process, and use of the isocyanate MITSUI CHEMICALS, INC. (JP) 2012-05-22 US disclosed
US-20090124785-A1 Process for production of isocyanate, isocyanate produced by the process, and use of the isocyanate MITSUI CHEMICALS, INC. (JP) 2009-05-14 US disclosed
EP-1908749-A1 PROCESS FOR PRODUCTION OF ISOCYANATE, ISOCYANATE PRODUCED BY THE PROCESS, AND USE OF THE ISOCYANATE Mitsui Chemicals, Inc. (JP) 2008-04-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11987541-B2 Method of preparing diisocyanate composition INCENP, CENPE, SMO DPP4 3520/4885HRH1 1686/4885RIPK1 1485/4885
US-11964931-B2 Method of preparing diisocyanate composition and optical lens CRYAA, GCG, UACA DPP4 2483/4885HRH1 923/4885RIPK1 1513/4885
US-20230357136-A1 DIAMINE COMPOSITION, AND METHOD OF PREPARING DIISOCYANATE COMPOSITION INCENP, CENPE, BRI3BP DPP4 2092/4885HRH1 4251/4885RIPK1 1148/4885
US-20210171452-A1 DIISOCYANATE COMPOSITION FOR OPTICAL LENS AND PREPARATION METHOD THEREOF INCENP, CRYAA, MYOC DPP4 2334/4885HRH1 4182/4885RIPK1 1980/4885
US-11518737-B2 Method of preparing diisocyanate composition and optical lens CRYAA, SMO, INCENP DPP4 2370/4885HRH1 1873/4885RIPK1 1349/4885
US-20210171445-A1 METHOD OF PREPARING DIISOCYANATE COMPOSITION AND OPTICAL LENS CRYAA, SMO, INCENP DPP4 2370/4885HRH1 1873/4885RIPK1 1349/4885
US-11634383-B2 Method of preparing diisocyanate composition INCENP, CENPE, CRYAA DPP4 2709/4885HRH1 4232/4885RIPK1 1997/4885
US-11932591-B2 Method of preparing diisocyanate composition and optical lens CRYAA, GCG, AGT DPP4 2792/4885HRH1 1613/4885RIPK1 1525/4885
US-20210171449-A1 METHOD OF PREPARING DIISOCYANATE COMPOSITION INCENP, CENPE, SMO DPP4 3520/4885HRH1 1686/4885RIPK1 1485/4885
US-11731936-B2 Diisocyanate composition, preparation method thereof and optical material using same SMO, GCG, INCENP DPP4 3145/4885HRH1 1068/4885RIPK1 2667/4885
US-20210171443-A1 METHOD OF PREPARING DIISOCYANATE COMPOSITION AND OPTICAL LENS CRYAA, GCG, UACA DPP4 2483/4885HRH1 923/4885RIPK1 1513/4885
US-11760719-B2 Diamine composition, and method of preparing diisocyanate composition UACA, CENPE, CD79B DPP4 1767/4885HRH1 3090/4885RIPK1 2093/4885
US-11702384-B2 Diisocyanate composition for optical lens and preparation method thereof INCENP, CRYAA, MYOC DPP4 2334/4885HRH1 4182/4885RIPK1 1980/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.