SCHEMBL13462886

SCHEMBL13462886

CCc1ccc(C(C)N[C@H](C)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.56
▸ TP53 P04637 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TAOK1 Q7L7X3 1/20 0.47
▸ TAOK3 Q9H2K8 1/20 0.47
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44

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
SCHEMBL13824736 0.89 SIGMAR1 (0.50) SIGMAR1TP53SMN1; SMN2TAOK1TAOK3
SCHEMBL30763462 0.82 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2LMNACYP3A4CHRM2
SCHEMBL26130571 0.82 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2LMNACYP3A4CHRM2
SCHEMBL283979 0.82 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2LMNACYP3A4CHRM2
SCHEMBL1200137 0.82 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2LMNACYP3A4CHRM2
SCHEMBL8437895 0.82 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2LMNACYP3A4CHRM2
SCHEMBL3749295 0.82 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2LMNACYP3A4CHRM2
SCHEMBL444227 0.81 TP53 (0.56) TP53SMN1; SMN2TAOK1TAOK3CRHBP
Isopropylbenzene SCHEMBL7651427 0.81 TP53 (0.56) TP53SMN1; SMN2CRHBPCRHR2LMNA
SCHEMBL6546869 0.81 TP53 (0.56) TP53SMN1; SMN2TAOK1TAOK3CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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 SIGMAR1 417/4885TP53 3918/4885SMN1; SMN2 3807/4885

“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.

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