SCHEMBL1692280

SCHEMBL1692280

CCc1cccc(N(C)C(=O)C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 17/20 0.49
▸ HSD17B1 P14061 1/20 0.48
▸ HSD17B2 P37059 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTT P42858 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
SCHEMBL1696998 0.88 HSD17B1 (0.46) SIGMAR1HSD17B1HSD17B2SMN1; SMN2HTT
SCHEMBL13951549 0.84 HSD17B1 (0.46) HSD17B1HSD17B2SMN1; SMN2HTT
SCHEMBL14015287 0.84 HSD17B1 (0.46) HSD17B1HSD17B2SMN1; SMN2HTT
SCHEMBL14491916 0.79 SIGMAR1 (0.55) SIGMAR1
SCHEMBL6633466 0.78 HSD17B1 (0.50) SIGMAR1HSD17B1HSD17B2SMN1; SMN2HTT
SCHEMBL10947630 0.78 SIGMAR1 (0.54) SIGMAR1
SCHEMBL9001804 0.78 HSD17B1 (0.49) HSD17B1HSD17B2SMN1; SMN2HTT
SCHEMBL1522068 0.77 HTT (0.59) HSD17B1HSD17B2SMN1; SMN2HTT
SCHEMBL9001880 0.77 HTT (0.59) HSD17B1HSD17B2SMN1; SMN2HTT
SCHEMBL14368012 0.76 SIGMAR1 (0.52) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 — — US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 — — US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 — — US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 — — US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 — — US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 — — US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 — — 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 SIGMAR1 4349/4885HSD17B1 1388/4885HSD17B2 1942/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 SIGMAR1 4349/4885HSD17B1 1388/4885HSD17B2 1942/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 SIGMAR1 4349/4885HSD17B1 1388/4885HSD17B2 1942/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 SIGMAR1 4349/4885HSD17B1 1388/4885HSD17B2 1942/4885

“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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