SCHEMBL6638422

SCHEMBL6638422

OC1CCN(Cc2[c]cccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KCNA3 P22001 1/20 0.45
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 5/20 0.42
HTT P42858 2/20 0.40
OPRM1 P35372 2/20 0.38
OPRL1 P41146 1/20 0.38
MAPT P10636 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL28205108 0.87 FUCA1 (0.40) ALDH1A1KCNA3KDM4EPOLBTSHR
SCHEMBL741364 0.75 ALDH1A1 (0.81) ALDH1A1LTA4H
SCHEMBL72716 0.75 ALDH1A1 (0.81) ALDH1A1LTA4H
SCHEMBL608225 0.75 ALDH1A1 (0.81) ALDH1A1LTA4H
SCHEMBL844945 0.74 HRH3 (0.43) ALDH1A1KDM4EHTTMAPT
SCHEMBL5380547 0.74 ALDH1A1 (0.39) ALDH1A1KDM4E
SCHEMBL27933385 0.74 CYP2D6 (0.41) LTA4HHTT
Water SCHEMBL2362659 0.73 ALDH1A1 (0.78) ALDH1A1LTA4H
SCHEMBL844842 0.73 HRH3 (0.47) ALDH1A1KDM4EPOLBSMN1; SMN2HTT
SCHEMBL28441867 0.72 ALDH1A1 (0.57) ALDH1A1KDM4ELTA4HHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140862-A4 THROMBIN OR FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-07-28 EP claimed
EP-1140871-A4 THROMBIN OR FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-06 EP claimed
EP-1058549-A4 THROMBIN OR FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-12 EP claimed
US-20030004344-A1 Thrombin or factor Xa inhibitors LAM PATRICK Y S (US) 2003-01-02 US claimed
US-6500855-B1 NITROGEN CONTAINING AROMATIC HETEROCYCLES WITH ORTHO-SUBSTITUTED P1 GROUPS; ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-31 US claimed
US-20020115854-A1 Thrombin or factor Xa inhibitors LAM PATRICK Y S (US) 2002-08-22 US claimed
US-6403583-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US claimed
US-6369227-B1 BLOOD COAGULATION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-09 US claimed
EP-1140862-A1 THROMBIN OR FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
EP-1140871-A1 THROMBIN OR FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
EP-1058549-A1 THROMBIN OR FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-12-13 EP claimed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
WO-2000039102-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
WO-2000038683-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO claimed
EP-1140862-A4 THROMBIN OR FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-07-28 EP disclosed
EP-1140871-A4 THROMBIN OR FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-06 EP disclosed
EP-1058549-A4 THROMBIN OR FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-11-12 EP disclosed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
WO-2000039102-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
WO-2000038683-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO 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-20030004344-A1 Thrombin or factor Xa inhibitors SERPINC1, TFPI, SPINT2 ALDH1A1 4139/4885KCNA3 2874/4885KDM4E 3805/4885
US-20020115854-A1 Thrombin or factor Xa inhibitors SERPINC1, TFPI, SPINT2 ALDH1A1 4139/4885KCNA3 2874/4885KDM4E 3805/4885

“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.