SCHEMBL17240232

SCHEMBL17240232

[CH2]C(OC1CCCCC1)c1cnc(C)nc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDGFRB P09619 2/20 0.31
PDGFRA P16234 2/20 0.31

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
SCHEMBL17240262 0.98 CYP19A1 (0.32) CYP19A1
SCHEMBL15797626 0.76 LOX (0.33) CYP19A1KDM4E
SCHEMBL15797553 0.74 LOX (0.31) CYP19A1
SCHEMBL15797625 0.74 CYP19A1 (0.39) CYP19A1MEN1KMT2A
SCHEMBL15797551 0.72 CYP19A1 (0.37) CYP19A1MEN1KMT2A
SCHEMBL15797309 0.71 CNR1 (0.35) CYP19A1MEN1KMT2A
SCHEMBL15797410 0.69 CNR1 (0.33) MEN1KMT2A
SCHEMBL14970048 0.67 PDGFRB (0.47) PDGFRBPDGFRA
SCHEMBL17240229 0.66 APLNR (0.32)
SCHEMBL24967981 0.64 L3MBTL1 (0.47) KMT2AKDM4EPDGFRBPDGFRA

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-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US disclosed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 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-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX1 CYP19A1 2212/4885MEN1 3139/4885KMT2A 1860/4885

“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.