SCHEMBL12993252

SCHEMBL12993252

CN(C)CCNCc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.65
TAAR1 Q96RJ0 2/20 0.62
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
AOC3 Q16853 1/20 0.50
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
TERT O14746 1/20 0.48
ACHE P22303 4/20 0.47
SIGMAR1 Q99720 1/20 0.46
PNMT P11086 1/20 0.46
ADRA1D P25100 1/20 0.46
HDAC1 Q13547 1/20 0.46
LMNA P02545 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
SCHEMBL6365430 0.84 CHRM2 (0.61) CHRM2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL7774786 0.84 CHRM2 (0.81) CHRM2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL13675373 0.81 TERT (0.49) CHRM2TAAR1CYP1A2CYP2D6CYP2C19
SCHEMBL11983543 0.81 TERT (0.49) CHRM2TAAR1CYP2D6TERTSIGMAR1
SCHEMBL21674322 0.81 CHRM2 (0.71) CHRM2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL11673587 0.80 CHRM2 (0.89) CHRM2TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL16269355 0.80 TAAR1 (0.62) TAAR1CYP1A2CYP2D6CYP2C19TERT
SCHEMBL30119905 0.80 TERT (0.48) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16269649 0.80 TAAR1 (0.62) TAAR1TERT
SCHEMBL7066938 0.80 CHRM2 (0.74) CHRM2TAAR1CYP1A2CYP3A4CYP2D6

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-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 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
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 CHRM2 270/4885TAAR1 253/4885CYP1A2 925/4885

“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.