SCHEMBL4822735

SCHEMBL4822735

COCC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CHRNA7 P36544 1/20 0.43
▸ CNR2 P34972 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL4823808 0.90 GHSR (0.47) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL4822909 0.89 CTSS (0.44) GHSRKCNH2CHRNA7CNR2MCL1
SCHEMBL4823902 0.88 CHRNA7 (0.47) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL4826756 0.88 CHRNA7 (0.47) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL4864692 0.85 CHRNA7 (0.45) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL4817264 0.84 GHSR (0.46) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL8251025 0.84 CNR2 (0.50) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL4822006 0.84 CHRNA7 (0.47) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL14193419 0.83 CHRNA7 (0.46) GHSRKCNH2CHRNA7CNR2HDAC1
SCHEMBL4818125 0.83 CNR2 (0.46) GHSRKCNH2CHRNA7CNR2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF GHSR 686/4885KCNH2 2060/4885CHRNA7 3660/4885

“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.

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