SCHEMBL1942147

SCHEMBL1942147

O=C(O)c1cccc(C2=CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
HTR2C P28335 5/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44

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
SCHEMBL7934174 0.83 SCN9A (0.40) SIGMAR1HTR2CQDPRSCN9APIM1
SCHEMBL28501074 0.81 SIGMAR1 (0.42) SIGMAR1HTR2CKDM4EQDPRSCN9A
SCHEMBL4294398 0.80 SCN9A (0.39) SIGMAR1HTR2CGABRPGABRDGABRA1
SCHEMBL1939215 0.80 CNR2 (0.46) SIGMAR1PIM1
Hydrochloric Acid SCHEMBL1937819 0.79 CNR2 (0.46) HTR2CPIM1
SCHEMBL14152002 0.77 ACMSD (0.50) TSHRKDM4EALOX15ACMSDTDP1
SCHEMBL169395 0.77 SIGMAR1 (0.66) SIGMAR1HTR2CKDM4EALOX15QDPR
SCHEMBL8965908 0.77 PRKCQ (0.55)
SCHEMBL5341889 0.76 HTR2C (0.51) SIGMAR1HTR2CKDM4EALOX15QDPR
SCHEMBL30454060 0.76 HTR2C (0.51) SIGMAR1HTR2CKDM4EALOX15QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 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 (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 386/4885TSHR 3341/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E SIGMAR1 171/4885HTR2C 386/4885TSHR 3341/4885

“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.