SCHEMBL4822790

SCHEMBL4822790

COc1ccc(N(C)CCNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4826753 0.86 CHRNA7 (0.45) KCNH2GHSRMEN1KMT2ACYP1A2
SCHEMBL4817707 0.86 CTSS (0.45) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL14223244 0.82 KCNH2 (0.46) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL4822979 0.82 AHR (0.46) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL8251025 0.82 CNR2 (0.50) KCNH2GHSRNPC1RAB9AMEN1
SCHEMBL4825563 0.81 CHRNA7 (0.46) KCNH2GHSRMEN1KMT2ACYP1A2
SCHEMBL4826885 0.81 SMN1; SMN2 (0.48) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL4823808 0.80 GHSR (0.47) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL4818315 0.80 GHSR (0.46) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL4817689 0.79 TAAR1 (0.52) KCNH2GHSRMEN1KMT2ACYP1A2

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 6 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
WO-2007014839-A2 CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO 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 DRD3 1415/4885DRD2 3138/4885HTR1A 1106/4885

“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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