SCHEMBL13439868

SCHEMBL13439868

CC(N[C@H](C)c1ccccc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.50
▸ SIGMAR1 Q99720 1/20 0.47
▸ CASR P41180 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ ACP3 P15309 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ GRIA4 P48058 2/20 0.41
▸ MAOA P21397 1/20 0.41

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
SCHEMBL13818367 1.00 NR1H4 (0.50) NR1H4SIGMAR1CASRGAATDP1
SCHEMBL3749295 0.82 SIGMAR1 (0.61) SIGMAR1CASRGAAATMACP3
SCHEMBL30763462 0.82 SIGMAR1 (0.61) SIGMAR1CASRGAAATMACP3
SCHEMBL1200137 0.82 SIGMAR1 (0.61) SIGMAR1CASRGAAATMACP3
SCHEMBL283979 0.82 SIGMAR1 (0.61) SIGMAR1CASRGAAATMACP3
SCHEMBL8437895 0.82 SIGMAR1 (0.61) SIGMAR1CASRGAAATMACP3
SCHEMBL12154026 0.82 CASR (0.63) SIGMAR1CASRGPR35ACP3LMNA
SCHEMBL14210385 0.82 CASR (0.63) SIGMAR1CASRGPR35ACP3LMNA
SCHEMBL4670006 0.81 TSHR (0.42) NR1H4GAATDP1LMNANR1I2
SCHEMBL12974482 0.81 ALDH1A1 (0.59) NR1H4GAATDP1ATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 — — US 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-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 — — US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 — — 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 (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 NR1H4 403/4885SIGMAR1 417/4885CASR 142/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 NR1H4 832/4885SIGMAR1 708/4885CASR 1/4885

“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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