SCHEMBL6487152

SCHEMBL6487152

N#Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCCC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 3/20 0.42
EGLN1 Q9GZT9 6/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
AADAT Q8N5Z0 4/20 0.40
GPBAR1 Q8TDU6 3/20 0.40
ERG P11308 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6483096 0.81 F2 (0.53) NAMPTALDH1A1EGLN1CYP3A4CYP2C9
SCHEMBL6477306 0.81 ALDH1A1 (0.48) NAMPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8301494 0.78 F2 (0.48) NAMPTALDH1A1CYP3A4CYP2C9CYP2C19
Acetic Acid SCHEMBL6484260 0.78 F2 (0.50) NAMPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6476709 0.76 ALDH1A1 (0.47) NAMPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6487155 0.74 GRM5 (0.42) ALDH1A1
SCHEMBL6476968 0.73 HTR2C (0.56) NAMPTEGLN1
SCHEMBL6476957 0.73 HTR2C (0.56) NAMPTEGLN1
Hydrochloric Acid SCHEMBL6476874 0.72 HTR2C (0.55) NAMPTEGLN1
Hydrochloric Acid SCHEMBL6476880 0.72 HTR2C (0.55) NAMPTEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 NAMPT 2398/4885ALDH1A1 925/4885EGLN1 1265/4885

“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.