SCHEMBL4823738

SCHEMBL4823738

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCNc2ccccc2)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.46
▸ CNR2 P34972 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ GHSR Q92847 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4817707 0.91 CTSS (0.45) CHRNA7KCNH2GHSRNPC1RAB9A
SCHEMBL4824939 0.90 MEN1 (0.46) CHRNA7CNR2MEN1KMT2ATSHR
SCHEMBL8251025 0.88 CNR2 (0.50) CHRNA7CNR2MEN1KMT2ATSHR
SCHEMBL4817689 0.88 TAAR1 (0.52) CHRNA7CNR2MEN1KMT2ATSHR
SCHEMBL4825563 0.87 CHRNA7 (0.46) CHRNA7CNR2MEN1KMT2ATSHR
SCHEMBL4822931 0.87 MEN1 (0.45) CHRNA7CNR2MEN1KMT2ATSHR
SCHEMBL4822006 0.86 CHRNA7 (0.47) CHRNA7CNR2MEN1KMT2ATSHR
SCHEMBL4823902 0.86 CHRNA7 (0.47) CHRNA7CNR2MEN1KMT2ATSHR
SCHEMBL4822710 0.86 HDAC1 (0.46) CHRNA7CNR2EPHX1MEN1KMT2A
SCHEMBL14193419 0.86 CHRNA7 (0.46) CHRNA7CNR2MEN1KMT2ATSHR

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 CHRNA7 3660/4885CNR2 1352/4885EPHX1 3175/4885

“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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