SCHEMBL4658283

SCHEMBL4658283

CCN(C)Cc1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
LTA4H P09960 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28750369 0.98 CHRNB2 (0.38) CHRNB2CHRNA4LTA4HTSHRALDH1A1
SCHEMBL160311 0.83 ALDH1A1 (0.46) CHRNB2CHRNA4TSHRALDH1A1
SCHEMBL996139 0.82 HRH3 (0.39) TSHRALDH1A1
SCHEMBL27755603 0.81 ALDH1A1 (0.44) CHRNB2CHRNA4TSHRALDH1A1
SCHEMBL28636919 0.81 ALDH1A1 (0.44) CHRNB2CHRNA4TSHRALDH1A1
SCHEMBL28558829 0.81 ALDH1A1 (0.44) CHRNB2CHRNA4TSHRALDH1A1
SCHEMBL3301820 0.76 HDAC1 (0.32) LTA4HTSHR
SCHEMBL5448128 0.74 ADRA2B (0.35) TSHRALDH1A1
SCHEMBL5391395 0.74 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL998683 0.74 HRH3 (0.42) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP claimed
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP claimed
EP-1296982-B1 1-(HETEROARYL-PHENYL)-CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-09-19 EP claimed
EP-1670739-A4 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP claimed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US claimed
US-7153960-B2 Synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US claimed
EP-1553947-A4 QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-29 EP claimed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP claimed
EP-1670739-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-21 EP claimed
US-6998408-B2 6-5, 6-6, or 6-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-02-14 US claimed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 US claimed
WO-2002094197-A2 BICYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-28 WO claimed
WO-2002080853-A2 FUSED HETEROCYCLIC INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-17 WO claimed
US-20020119986-A1 Heteroaryl- phenyl heterobicyclic factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US claimed
US-20020103202-A1 Heteroaryl-phenyl substituted factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 US claimed
US-20020022614-A1 Thrombin or factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-21 US claimed
WO-2002002519-A2 THROMBIN OR FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO claimed
WO-2002000647-A1 HETEROARYL-PHENYL SUBSTITUTED FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO claimed
WO-2002000651-A2 FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO claimed
WO-2002000655-A1 1 - (HETEROARYL-PHENYL) - CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO claimed

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

For each of this compound's patents that has machine-readable text (5 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-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES F2, TFPI, TFPI2 CHRNB2 3927/4885CHRNA4 2553/4885LTA4H 1067/4885
US-20020022614-A1 Thrombin or factor Xa inhibitors TFPI, PLAT, SPINT2 CHRNB2 4860/4885CHRNA4 4848/4885LTA4H 483/4885
US-20020103202-A1 Heteroaryl-phenyl substituted factor Xa inhibitors F12, F3, TFPI CHRNB2 4154/4885CHRNA4 4397/4885LTA4H 1510/4885
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 CHRNB2 3852/4885CHRNA4 3607/4885LTA4H 2668/4885
US-20020119986-A1 Heteroaryl- phenyl heterobicyclic factor Xa inhibitors SERPINC1, TFPI, F12 CHRNB2 4231/4885CHRNA4 4368/4885LTA4H 2627/4885

“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.