SCHEMBL5767474

SCHEMBL5767474

CN(C)CCNCc1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.61
ITGB2 P05107 1/20 0.59
ICAM1 P05362 1/20 0.59
ITGAL P20701 1/20 0.59
CHRM2 P08172 1/20 0.59
TERT O14746 2/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
AOC3 Q16853 1/20 0.49
MAPT P10636 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL19582613 0.88 TERT (0.55) TAAR1ITGB2ICAM1ITGALCHRM2
SCHEMBL19582446 0.83 KDM4E (0.51) TAAR1ITGB2ICAM1ITGALTERT
SCHEMBL16268946 0.81 CHRM2 (0.62) ITGB2ICAM1ITGALCHRM2TERT
SCHEMBL16269318 0.80 TAAR1 (0.59) TAAR1ITGB2ICAM1ITGALCHRM2
SCHEMBL30119818 0.80 TERT (0.54) TAAR1ITGB2ICAM1ITGALCHRM2
SCHEMBL5194552 0.80 CA12 (0.69) TERTCYP2D6
SCHEMBL16269015 0.80 TAAR1 (0.59) TAAR1ITGB2ICAM1ITGALTERT
SCHEMBL6072254 0.80 CHRM2 (0.72) TAAR1CHRM2MEN1KMT2ATP53
SCHEMBL9514708 0.79 CHRM2 (0.66) TAAR1CHRM2MEN1KMT2ATP53
SCHEMBL18939702 0.79 CHRM2 (0.66) TAAR1CHRM2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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 (4 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 TAAR1 253/4885ITGB2 542/4885ICAM1 989/4885
US-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 TAAR1 206/4885ITGB2 850/4885ICAM1 780/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 TAAR1 90/4885ITGB2 2580/4885ICAM1 1305/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 TAAR1 199/4885ITGB2 1078/4885ICAM1 803/4885

“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.