SCHEMBL5631723

SCHEMBL5631723

CNc1ccc(OC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
HRH3 Q9Y5N1 3/20 0.43
NAMPT P43490 5/20 0.43
GPR6 P46095 1/20 0.42
CHKA P35790 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL7379121 0.85 ACACB (0.43) ACACBHRH3NAMPTGPR6
SCHEMBL22678144 0.83 FFAR1 (0.47) ACACBHRH3NAMPTIDO1TDO2
SCHEMBL9760149 0.83 IDO1 (0.45) ACACBHRH3NAMPTIDO1TDO2
SCHEMBL5633968 0.83 NAMPT (0.43) ACACBHRH3NAMPT
SCHEMBL5632543 0.82 CHKA (0.46) ACACBHRH3GPR6CHKAKDM1A
SCHEMBL5632393 0.82 NAMPT (0.56) ACACBHRH3NAMPT
Hydrochloric Acid SCHEMBL7954922 0.81 CHKA (0.44) ACACBHRH3GPR6CHKAKDM1A
SCHEMBL7112229 0.79 F10 (0.49) ACACBHRH3NAMPT
SCHEMBL3440129 0.78 CHKA (0.55) HRH3CHKA
SCHEMBL5632556 0.78 ALDH1A1 (0.56) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US disclosed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
US-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2003-11-06 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 (1 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-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents F2, SERPINC1, F11 ACACB 2543/4885HRH3 279/4885NAMPT 3430/4885

“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.