SCHEMBL1196325

SCHEMBL1196325

COC1CCCN1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.40
CHRM4 P08173 10/20 0.40
CHRM5 P08912 10/20 0.40
CHRM1 P11229 10/20 0.40
CHRM3 P20309 10/20 0.40
CNR1 P21554 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL11478670 0.94 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11556836 0.92 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28133009 0.85 CNR1 (0.38) CNR1DPP4
SCHEMBL28133025 0.85 CNR1 (0.38) CNR1DPP4
SCHEMBL28133007 0.85 CNR1 (0.38) CNR1DPP4
SCHEMBL2428695 0.83 DPP4 (0.39) CNR1DPP4
SCHEMBL28209789 0.83 DPP4 (0.39) CNR1DPP4
SCHEMBL29785152 0.82 DPP4 (0.38) CNR1DPP4
SCHEMBL1196324 0.82 CNR1 (0.36) CNR1DPP4
SCHEMBL7527261 0.82 TSHR (0.45) CNR1DPP4

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP claimed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US claimed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US claimed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US claimed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US claimed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP claimed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US claimed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO claimed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP claimed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
CN-117362217-A Method for synthesizing indole compounds 上海颐碳化学科技有限公司 2024-01-09 CN disclosed
US-4123434-A Process for preparing trimeric Δ1 -piperideins and trimeric 1-pyrroline HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-31 US disclosed
US-4118500-A Fungicidal alkoxy mono- and dialkoxy N-substituted cyclic amines HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 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 (7 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 CHRM2 1319/4885CHRM4 2341/4885CHRM5 2840/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 CHRM2 1319/4885CHRM4 2341/4885CHRM5 2840/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 CHRM2 2687/4885CHRM4 3732/4885CHRM5 3769/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 CHRM2 3891/4885CHRM4 4167/4885CHRM5 4177/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CHRM2 4846/4885CHRM4 4870/4885CHRM5 4878/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 CHRM2 1319/4885CHRM4 2341/4885CHRM5 2840/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 CHRM2 1319/4885CHRM4 2341/4885CHRM5 2840/4885

“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.