SCHEMBL3973574

SCHEMBL3973574

COc1ccc(C)cc1NN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 5/20 0.53
GAA P10253 4/20 0.53
TSHR P16473 4/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
AHR P35869 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TP53 P04637 3/20 0.48

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
SCHEMBL8117764 0.83 ACHE (0.56) ACHEALDH1A1CYP3A4MAPTGAA
SCHEMBL2755820 0.81 ACHE (0.58) ACHEALDH1A1CYP3A4MAPTGAA
SCHEMBL31239085 0.81 ACHE (0.58) ACHEALDH1A1CYP3A4MAPTGAA
SCHEMBL25557097 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTGAATSHR
SCHEMBL21268606 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4MAPTGAA
SCHEMBL17705666 0.79 KMT2A (0.58) ALDH1A1CYP3A4MAPTGAALMNA
SCHEMBL17993774 0.78 MAPT (0.36) ACHEALDH1A1CYP3A4MAPTGAA
Hydrochloric Acid SCHEMBL20984230 0.78 KMT2A (0.57) ALDH1A1CYP3A4MAPTGAALMNA
SCHEMBL7042391 0.78 HTT (0.47) CYP3A4MAPTGAAKMT2ASMN1; SMN2
Bromide SCHEMBL20984992 0.78 KMT2A (0.56) ALDH1A1CYP3A4MAPTGAALMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 US disclosed
EP-4313300-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-02-07 EP disclosed
CN-117460723-A Pharmaceutical compounds 杜克街生物有限公司 2024-01-26 CN disclosed
WO-2022207752-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2022-10-06 WO disclosed
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2017-12-28 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-07-16 US disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 US disclosed
EP-0143440-A2 Insecticidal composition MITSUBISHI KASEI CORPORATION (JP) 1985-06-05 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 (5 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX ACHE 1974/4885ALDH1A1 2181/4885CYP3A4 50/4885
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP ACHE 2361/4885ALDH1A1 943/4885CYP3A4 104/4885
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 ACHE 3635/4885ALDH1A1 580/4885CYP3A4 1788/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 ACHE 4078/4885ALDH1A1 258/4885CYP3A4 1612/4885
US-20170369783-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC OBJECT VIM, SMCHD1, SMC4 ACHE 3426/4885ALDH1A1 3570/4885CYP3A4 3747/4885

“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.