SCHEMBL4817689

SCHEMBL4817689

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCc2ccccc2)cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.52
▸ CHRNA7 P36544 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4822710 0.94 HDAC1 (0.46) TAAR1CHRNA7MAPTSMN1; SMN2ALDH1A1
SCHEMBL4826975 0.94 HDAC1 (0.47) TAAR1CHRNA7MAPTSMN1; SMN2ALDH1A1
SCHEMBL4819819 0.93 HSD17B10 (0.51) TAAR1CHRNA7MAPTSMN1; SMN2ALDH1A1
SCHEMBL4821387 0.90 IDO1 (0.51) TAAR1CHRNA7SMN1; SMN2ALDH1A1HTT
SCHEMBL4822931 0.90 MEN1 (0.45) TAAR1CHRNA7SMN1; SMN2ALDH1A1HTT
SCHEMBL8251025 0.89 CNR2 (0.50) CHRNA7TP53SMN1; SMN2ALDH1A1CNR2
SCHEMBL4824939 0.89 MEN1 (0.46) CHRNA7MAPTSMN1; SMN2ALDH1A1CNR2
SCHEMBL4825563 0.88 CHRNA7 (0.46) CHRNA7SMN1; SMN2ALDH1A1CNR2MEN1
SCHEMBL4823738 0.88 CHRNA7 (0.46) CHRNA7SMN1; SMN2ALDH1A1CNR2MEN1
SCHEMBL4826821 0.87 CPB1 (0.49) CHRNA7ALDH1A1CNR2MEN1KMT2A

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 TAAR1 2307/4885CHRNA7 3660/4885TP53 1252/4885

“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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