SCHEMBL11246723

SCHEMBL11246723

C1=C(C2=CCNCC2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
HTR2C P28335 8/20 0.48
QDPR P09417 3/20 0.47
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL21361657 0.93 SIGMAR1 (0.52) SIGMAR1HTR2CQDPRHRH3KDM4E
SCHEMBL9212418 0.89 SIGMAR1 (0.39) SIGMAR1HTR2CQDPRHRH3
SCHEMBL296554 0.78 TYMP (0.42) ALDH1A1
SCHEMBL918640 0.76 TYMP (0.34) SIGMAR1HTR2CQDPR
SCHEMBL15274975 0.75 QDPR (0.48) SIGMAR1HTR2CQDPR
SCHEMBL3233362 0.75 TYMP (0.41) ALDH1A1
SCHEMBL18244171 0.75 TYMP (0.41) ALDH1A1
SCHEMBL2105114 0.75 TYMP (0.41) ALDH1A1
SCHEMBL21057468 0.75 TYMP (0.41) ALDH1A1
SCHEMBL3502363 0.75 TYMP (0.41) ALDH1A1

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-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
EP-0012471-B1 AZABICYCLOHEXENE DERIVATIVES, A PROCESS FOR PREPARING THEM, POLLEN-SUPPRESSING COMPOSITIONS, A METHOD OF PRODUCING F1 HYBRID SEED, AND SEED THUS PRODUCED SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-10-06 EP disclosed
EP-0012471-A1 Azabicyclohexene derivatives, a process for preparing them, pollen-suppressing compositions, a method of producing F1 hybrid seed, and seed thus produced SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-06-25 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD SIGMAR1 2873/4885HTR2C 3746/4885QDPR 1722/4885

“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.