SCHEMBL3145336

SCHEMBL3145336

O=C(c1ccccc1)N1CCCc2cccc(O)c21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AVPR2 P30518 3/20 0.50
AVPR1A P37288 3/20 0.50
OXTR P30559 2/20 0.50
P2RX1 P51575 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.48
HSD17B10 Q99714 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL10568480 0.84 POLB (0.67) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL17544697 0.80 NOTUM (0.59) ALDH1A1HPGDMEN1KMT2AP2RX1
SCHEMBL11335480 0.80 ATM (0.46) ALDH1A1KMT2AP2RX1SMN1; SMN2POLB
SCHEMBL29463754 0.78 ALDH1A1 (0.81) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL6198498 0.78 ALDH1A1 (0.81) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL1135622 0.78 ALDH1A1 (0.56) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL11537014 0.77 P2RX1 (0.50) ALDH1A1HPGDMEN1KMT2AP2RX1
SCHEMBL11281614 0.73 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL6108617 0.73 P2RX1 (0.50) ALDH1A1HPGDMEN1KMT2AP2RX1
SCHEMBL7348349 0.73 AVPR2 (0.76) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US 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-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
EP-0025864-B1 TETRAHYDROQUINOLINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CASSELLA Aktiengesellschaft (DE) 1983-05-18 EP disclosed
US-4335123-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed
EP-0025864-A1 Tetrahydroquinoline derivatives, processes for their production, their use and pharmaceutical preparations containing them CASSELLA Aktiengesellschaft (DE) 1981-04-01 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 (2 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-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

“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.