SCHEMBL4824939

SCHEMBL4824939

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCNC(=O)c2ccccc2)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ CNR2 P34972 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 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
SCHEMBL4823738 0.90 CHRNA7 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8251025 0.89 CNR2 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4817689 0.89 TAAR1 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4864692 0.89 CHRNA7 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4825563 0.88 CHRNA7 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4822931 0.88 MEN1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4823902 0.87 CHRNA7 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4822006 0.87 CHRNA7 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4822710 0.87 HDAC1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4826753 0.86 CHRNA7 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 MEN1 770/4885KMT2A 2903/4885CYP1A2 2283/4885

“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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