SCHEMBL14905955

SCHEMBL14905955

O=C(O)c1cncc(CN2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.41
KMO O15229 1/20 0.38
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL15987403 0.83 HCRTR1 (0.46) CXCR4HRH3SMN1; SMN2ALOX15KDM4E
SCHEMBL27969910 0.82 CXCR4 (0.51) CXCR4HTTHRH3SMN1; SMN2ALOX15
SCHEMBL31721294 0.82 MC4R (0.39) HRH3SMN1; SMN2KDM4E
SCHEMBL465725 0.79 CXCR4 (0.69) CXCR4HTTSMN1; SMN2ALOX15CYP2C9
SCHEMBL31679380 0.79 CXCR4 (0.69) CXCR4HTTSMN1; SMN2ALOX15CYP2C9
SCHEMBL31679393 0.78 CXCR4 (0.67) CXCR4HTTSMN1; SMN2ALOX15KDM4E
SCHEMBL22009968 0.78 CXCR4 (0.67) CXCR4HTTSMN1; SMN2ALOX15KDM4E
SCHEMBL29892433 0.78 CXCR4 (0.67) CXCR4HTTSMN1; SMN2ALOX15KDM4E
SCHEMBL1856562 0.78 HRH3 (0.62) CXCR4HTTHRH3SMN1; SMN2ALOX15
SCHEMBL26908105 0.77 CXCR4 (0.69) CXCR4HTTSMN1; SMN2ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 EP disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 US disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
WO-2013062065-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE アステラス製薬株式会社 (JP) 2013-05-02 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 (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-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI CXCR4 3620/4885HTT 1607/4885HRH3 809/4885

“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.