SCHEMBL3510474

SCHEMBL3510474

COC(=O)C1(N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
OPRL1 P41146 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 2/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49

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
Hydrochloric Acid SCHEMBL15017981 0.99 CYP2D6 (0.54) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL2089472 0.92 CYP2D6 (0.53) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL4609435 0.86 CYP3A4 (0.65) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL29366988 0.85 CYP2D6 (0.50) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL3498095 0.84 CYP2D6 (0.56) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL14081425 0.84 CYP2D6 (0.56) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL13744181 0.84 CYP2D6 (0.60) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL31712017 0.83 CYP2D6 (0.60) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL1975609 0.83 CYP2D6 (0.57) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL16999964 0.83 CYP2D6 (0.55) CYP2D6ALDH1A1TSHRCYP3A4CYP2C9

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
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 US disclosed
US-11999746-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-04 US disclosed
US-20200055863-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-02-20 US disclosed
WO-2019238057-A1 APPLICATION OF FSO2N3 IN PREPARATION OF AZIDE 中国科学院上海有机化学研究所 2019-12-19 WO disclosed
US-10428078-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-01 US disclosed
EP-3172211-B1 TRICYCLIC IMIDAZO-PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY LP-PLA2 GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-03 EP disclosed
US-20190023715-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-24 US disclosed
US-10125141-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-13 US disclosed
US-20170204109-A1 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-20 US disclosed
EP-3172211-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-05-31 EP disclosed
US-7863450-B2 Compounds comprising an oxazoline or thiazoline moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2011-01-04 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 US disclosed
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-07-03 US disclosed
WO-2008005423-A1 IMPROVED METHOD OF MAKING SUFENTANIL CAMBREX CHARLES CITY, INC. (US) 2008-01-10 WO disclosed
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
EP-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 WO 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 (10 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-20200055863-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B CYP2D6 3845/4885ALDH1A1 2222/4885TSHR 4736/4885
US-20190023715-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B CYP2D6 3845/4885ALDH1A1 2222/4885TSHR 4736/4885
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 CYP2D6 969/4885ALDH1A1 1857/4885TSHR 2196/4885
US-10125141-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B CYP2D6 3845/4885ALDH1A1 2222/4885TSHR 4736/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 CYP2D6 4014/4885ALDH1A1 3244/4885TSHR 1368/4885
US-10428078-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B CYP2D6 3845/4885ALDH1A1 2222/4885TSHR 4736/4885
US-20080161331-A1 Compounds Comprising an Oxazoline or Thiazoline Moiety, Processes for Making Them, and Their Uses NR1H3, NR1I3, NR1I2 CYP2D6 281/4885ALDH1A1 977/4885TSHR 31/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B CYP2D6 3845/4885ALDH1A1 2222/4885TSHR 4736/4885
US-11999746-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B CYP2D6 3845/4885ALDH1A1 2222/4885TSHR 4736/4885
US-20170204109-A1 Compounds PLAAT2, PLA2G12A, PLA2G1B CYP2D6 3845/4885ALDH1A1 2222/4885TSHR 4736/4885

“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.