SCHEMBL1135622

SCHEMBL1135622

O=C(c1ccccc1)N1CCCc2c(O)cccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AVPR2 P30518 5/20 0.51
AVPR1A P37288 5/20 0.51
OXTR P30559 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL6198498 0.80 ALDH1A1 (0.81) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL29463754 0.80 ALDH1A1 (0.81) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL1135759 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL3145336 0.78 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL1495885 0.77 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL4863235 0.76 TP53 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL2885604 0.74 UCHL1 (0.47) MEN1KMT2A
SCHEMBL7348349 0.74 AVPR2 (0.76) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL1002469 0.74 CYP1A2 (0.64) ALDH1A1HPGDMEN1KMT2AAVPR2
Thiourea SCHEMBL15400235 0.74 ALDH1A1 (0.70) ALDH1A1HPGDMEN1KMT2AAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
EP-1954696-B1 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 WO disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-08-03 US disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US 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 (4 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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 ALDH1A1 2158/4885HPGD 1083/4885MEN1 2322/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885HPGD 676/4885MEN1 3173/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 ALDH1A1 1978/4885HPGD 676/4885MEN1 3173/4885
US-20060173002-A1 Heteroaryl compounds as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 ALDH1A1 2158/4885HPGD 1083/4885MEN1 2322/4885

“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.