SCHEMBL3434585

SCHEMBL3434585

Nc1ccccc1C1=CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.61
SIGMAR1 Q99720 2/20 0.58
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
DRD2 P14416 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
QDPR P09417 1/20 0.46
HTR6 P50406 3/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2A P28223 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
KHK P50053 1/20 0.42

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
Hydrochloric Acid SCHEMBL2078358 1.00 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL14540702 0.78 HTR6 (0.67) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL3690362 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL9530706 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL2269949 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL1106949 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL4790197 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL4790160 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL21359253 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL1366798 0.78 HTR2C (0.61) HTR2CSIGMAR1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTR2C 1146/4885SIGMAR1 1460/4885ALDH1A1 975/4885

“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.