SCHEMBL2188159

SCHEMBL2188159

CCCCCNCc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.62
CYP2D6 P10635 4/20 0.61
CYP2C19 P33261 4/20 0.61
CYP1A2 P05177 3/20 0.61
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM2 P08172 3/20 0.48
MAOA P21397 1/20 0.48
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
S1PR2 O95136 1/20 0.47
S1PR4 O95977 1/20 0.47
NAAA Q02083 1/20 0.47

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
SCHEMBL19508848 0.98 HRH4 (0.65) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
SCHEMBL3266830 0.94 HRH4 (0.58) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2710961 0.92 HRH4 (0.56) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
Acetic Acid SCHEMBL28476614 0.89 ALDH1A1 (0.68) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
SCHEMBL1659835 0.88 ALDH1A1 (0.71) HRH4HRH3CYP2D6CYP2C19LMNA
SCHEMBL3741348 0.86 ALDH1A1 (0.50) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5395461 0.84 ALDH1A1 (0.49) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
SCHEMBL9259496 0.84 HRH4 (0.84) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
SCHEMBL10747074 0.84 HRH4 (0.84) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19
SCHEMBL10748421 0.84 HRH4 (0.84) HRH4HRH3SMN1; SMN2CYP2D6CYP2C19

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 9 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
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
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 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 (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 HRH4 1693/4885HRH3 2896/4885SMN1; SMN2 4456/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 HRH4 1218/4885HRH3 1231/4885SMN1; SMN2 4379/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 HRH4 1218/4885HRH3 1231/4885SMN1; SMN2 4379/4885

“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.