SCHEMBL4819819

SCHEMBL4819819

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCc2ccncc2)cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.51
▸ GHSR Q92847 2/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL4817689 0.93 TAAR1 (0.52) HSD17B10GHSRTAAR1MAPTCHRNA7
SCHEMBL4821387 0.91 IDO1 (0.51) HSD17B10GHSRTAAR1CHRNA7CNR2
SCHEMBL4822710 0.87 HDAC1 (0.46) HSD17B10TAAR1MAPTCHRNA7CNR2
SCHEMBL4824919 0.87 STAT6 (0.46) GHSRCHRNA7CNR2KCNH2MEN1
SCHEMBL4826975 0.86 HDAC1 (0.47) TAAR1MAPTCHRNA7CNR2KMT2A
SCHEMBL8251025 0.86 CNR2 (0.50) HSD17B10GHSRCHRNA7CNR2KCNH2
SCHEMBL4825563 0.85 CHRNA7 (0.46) HSD17B10GHSRCHRNA7CNR2KCNH2
SCHEMBL4826753 0.83 CHRNA7 (0.45) HSD17B10GHSRCHRNA7CNR2KCNH2
SCHEMBL4824939 0.83 MEN1 (0.46) HSD17B10GHSRMAPTCHRNA7CNR2
SCHEMBL4822931 0.83 MEN1 (0.45) HSD17B10GHSRTAAR1CHRNA7CNR2

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 HSD17B10 2429/4885GHSR 686/4885TAAR1 2307/4885

“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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