SCHEMBL6923255

SCHEMBL6923255

COc1ccc(NC(c2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.46
KDM4E B2RXH2 1/20 0.42
HTR2B P41595 6/20 0.42
HTR2A P28223 4/20 0.42
EPHX2 P34913 1/20 0.41
GID4 Q8IVV7 1/20 0.40
TERT O14746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDR1 Q08345 2/20 0.37
SCN9A Q15858 1/20 0.37
MDM2 Q00987 1/20 0.36

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
SCHEMBL6925573 0.87 KDM4E (0.43) HTR2CKDM4EHTR2BHTR2AEPHX2
SCHEMBL6923415 0.82 HTR2C (0.44) HTR2CKDM4EHTR2BHTR2AEPHX2
SCHEMBL7379014 0.81 HTR2C (0.48) HTR2CKDM4EHTR2BHTR2AEPHX2
SCHEMBL6924610 0.79 ALDH1A1 (0.61) EPHX2ALDH1A1
SCHEMBL6926479 0.79 F2 (0.60) ALDH1A1
SCHEMBL6926419 0.76 MEN1 (0.48) KDM4EALDH1A1SMN1; SMN2MDM2
SCHEMBL6924964 0.74 HTR2C (0.46) HTR2CKDM4EHTR2BHTR2AGID4
SCHEMBL6925564 0.73 EGFR (0.45) KDM4EALDH1A1DDR1SCN9AMDM2
SCHEMBL6925098 0.73 HTR2C (0.46) HTR2CKDM4EHTR2BHTR2AGID4
SCHEMBL17231940 0.73 HTR2C (0.58) HTR2CKDM4EHTR2BHTR2AGID4

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI HTR2C 524/4885KDM4E 3420/4885HTR2B 1104/4885

“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.