SCHEMBL17066460

SCHEMBL17066460

CC1=CCC2(CCNCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
TSHR P16473 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
CYP3A4 P08684 3/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
CYP2D6 P10635 3/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
STAT3 P40763 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL23465807 0.86
SCHEMBL18827461 0.80 GLI1 (0.33) CYP3A4GLI1GLI2
SCHEMBL10029417 0.75 TSHR (0.34) OPRM1TSHRCYP3A4GLI1GLI2
SCHEMBL21945407 0.74 USP2 (0.32) TSHRCYP3A4CYP2D6USP2ALDH1A1
SCHEMBL24638773 0.74 TSHR (0.31) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL22275306 0.72 TSHR (0.34) OPRM1TSHR
SCHEMBL24880548 0.72
SCHEMBL4837023 0.72
SCHEMBL23569915 0.71
SCHEMBL18126814 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 US disclosed
WO-2021102468-A1 SUBSTITUTED 1,5-NAPHTHYRIDINES OR QUINOLINES AS ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 WO disclosed
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 US disclosed
US-9850242-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2017-12-26 US disclosed
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-24 US disclosed
US-9446046-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-20 US disclosed
US-9126999-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-08 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 (4 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-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A OPRM1 2908/4885TSHR 659/4885GABRD 1107/4885
US-20160339032-A1 TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS SSB, TLR8, TLR9 OPRM1 3490/4885TSHR 1323/4885GABRD 2312/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A OPRM1 2908/4885TSHR 659/4885GABRD 1107/4885
US-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A OPRM1 2908/4885TSHR 659/4885GABRD 1107/4885

“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.