SCHEMBL17240261

SCHEMBL17240261

[CH2]C(c1ccc(Oc2ccccc2)cc1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2D6 P10635 5/20 0.46
CYP2C19 P33261 5/20 0.46
CYP2C9 P11712 4/20 0.46
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 4/20 0.46
KCNE1 P15382 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
LTA4H P09960 4/20 0.44
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 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
SCHEMBL17240260 0.84 LMNA (0.49) KCNA5LTA4HTSHRALDH1A1KMT2A
SCHEMBL949225 0.84 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL945419 0.82 CYP2D6 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL16179076 0.79 P4HB (0.46) MEN1ALDH1A1KMT2A
SCHEMBL27923851 0.78 CACNA1B (0.42) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL18274478 0.78 ALDH1A1 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL15797439 0.76 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL16179288 0.75 HPGD (0.48) TSHRMEN1ALDH1A1KMT2AGAA
SCHEMBL11702651 0.74 OPRL1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL15797438 0.74 GAA (0.55) HRH3TSHRMEN1ALDH1A1GLA

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 CYP1A2 566/4885CYP3A4 626/4885CYP2D6 488/4885

“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.