SCHEMBL2188249

SCHEMBL2188249

CCCCCNCc1cccnc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.78
CYP1A2 P05177 3/20 0.65
CYP2D6 P10635 3/20 0.65
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
SCN8A Q9UQD0 1/20 0.59
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
CYP2C19 P33261 2/20 0.53
HTT P42858 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
FES P07332 1/20 0.51
RET P07949 1/20 0.51
MARK3 P27448 1/20 0.51
TYK2 P29597 1/20 0.51

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
SCHEMBL11083068 0.98 CHRM2 (0.81) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL10556589 0.98 CHRM2 (0.81) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL19509215 0.98 CHRM2 (0.81) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL2711100 0.95 CHRM2 (0.75) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL11594897 0.91 CHRM2 (0.93) CHRM2CYP1A2CYP2D6ALDH1A1NPSR1
SCHEMBL27298367 0.90 CHRM2 (0.69) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL3738479 0.88 CYP1A2 (0.71) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL8728583 0.87 CHRM2 (0.68) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
Hydrochloric Acid SCHEMBL5379316 0.86 CYP1A2 (0.69) CHRM2CYP1A2CYP2D6TDP1L3MBTL1
SCHEMBL2187759 0.85 TDP1 (0.70) CHRM2CYP1A2CYP2D6TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 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 (3 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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 CHRM2 755/4885CYP1A2 11/4885CYP2D6 9/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 CHRM2 2015/4885CYP1A2 3301/4885CYP2D6 2232/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 CHRM2 2015/4885CYP1A2 3301/4885CYP2D6 2232/4885

“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.