SCHEMBL13870773

SCHEMBL13870773

CNC(=O)NCc1cc(N)n(C2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 15/20 0.38
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13870758 0.88 PKM (0.41) PDE7APKM
SCHEMBL13870770 0.86 PKM (0.42) PDE7APKMRAB9ASMN1; SMN2
SCHEMBL13870776 0.76 HTT (0.44) HTTRAB9ASMN1; SMN2
SCHEMBL13870783 0.75 HTT (0.35) HTTP2RX7RAB9ASMN1; SMN2
SCHEMBL21960344 0.74 PDE7A (0.43) PDE7A
SCHEMBL13870778 0.73 HTT (0.34) HTTP2RX7SMN1; SMN2
SCHEMBL13870780 0.73 HTT (0.36) HTTP2RX7SMN1; SMN2
SCHEMBL13870772 0.71 DRD4 (0.44) P2RX7
SCHEMBL13870781 0.70 CYP1A2 (0.47) PKMP2RX7RAB9ASMN1; SMN2
SCHEMBL27854871 0.69 HPGD (0.39) PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 — — US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — 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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB PDE7A 1708/4885PKM 660/4885HTT 898/4885

“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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