SCHEMBL6077591

SCHEMBL6077591

O=C(NCc1cc(F)ccc1-n1cncn1)[C@@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.46
HTR2B P41595 6/20 0.46
GID4 Q8IVV7 1/20 0.45
HTR2A P28223 4/20 0.44
KDM4E B2RXH2 1/20 0.42
PLK1 P53350 1/20 0.39
F2 P00734 1/20 0.39
P2RX7 Q99572 1/20 0.38
HTR6 P50406 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HCRTR1 O43613 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
SCHEMBL6078060 0.88 F2 (0.49) HTR2CHTR2BGID4KDM4EF2
SCHEMBL6077679 0.84 F2 (0.47) HTR2CHTR2BGID4HTR2AKDM4E
SCHEMBL6920702 0.76 F2 (0.43) HTR2CF2CYP3A4
SCHEMBL6920320 0.74 F2 (0.43) F2CYP3A4
SCHEMBL6920326 0.74 F2 (0.43) F2CYP3A4
SCHEMBL6919448 0.73 F2 (0.46) F2CYP3A4
SCHEMBL6914966 0.73 F2 (0.46) F2CYP3A4
SCHEMBL6914976 0.73 F2 (0.46) F2CYP3A4
SCHEMBL6077720 0.73 F2 (0.50) F2P2RX7
SCHEMBL6077558 0.72 F2 (0.59) HTR2CF2CYP3A4

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-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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 (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-20040073025-A1 Thrombin inhibitors F2, F11, F10 HTR2C 2150/4885HTR2B 1138/4885GID4 3676/4885

“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.