SCHEMBL7940586

SCHEMBL7940586

Nc1cccc(C2=CCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
HTR2C P28335 9/20 0.47
QDPR P09417 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CDK9 P50750 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
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
SCHEMBL12469497 0.85 HTR2C (0.55) SIGMAR1HTR2CQDPRASIC3CDK9
SCHEMBL30454060 0.81 HTR2C (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL5341889 0.81 HTR2C (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL3453255 0.80 HTR2C (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL14761633 0.80 CDK9 (0.57) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL171110 0.80 SIGMAR1 (0.49) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL171596 0.80 PIM1 (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL13490658 0.80 SIGMAR1 (0.49) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL169395 0.79 SIGMAR1 (0.66) SIGMAR1HTR2CQDPRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4588150 0.79 HTR2C (0.53) SIGMAR1HTR2CQDPRPIM1PIM3

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
EP-2331522-B1 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA LP (US) 2013-09-18 EP disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 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 (2 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-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E SIGMAR1 171/4885HTR2C 386/4885QDPR 36/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E SIGMAR1 171/4885HTR2C 386/4885QDPR 36/4885

“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.