SCHEMBL10796149

SCHEMBL10796149

CC(C)c1cccc(C(F)(F)F)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.50
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP3A4 P08684 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL807279 0.89 P2RX7 (0.48) P2RX7GABRA1GABRG2GABRB3GABRB2
SCHEMBL13662506 0.83 P2RX7 (0.44) P2RX7GABRA1GABRG2GABRB3GABRB2
SCHEMBL30419675 0.81 GABRA1 (0.43) P2RX7GABRA1GABRG2GABRB3GABRB2
SCHEMBL18999989 0.81 PDE2A (0.39) P2RX7ARTRPA1
SCHEMBL84477 0.80 P2RX7 (0.50) P2RX7GABRA1GABRG2GABRB3GABRB2
SCHEMBL13453951 0.79 P2RX7 (0.50) P2RX7GABRA1GABRG2GABRB3GABRB2
SCHEMBL12009462 0.79 P2RX7 (0.50) P2RX7GABRA1GABRG2GABRB3GABRB2
SCHEMBL10304749 0.79 P2RX7 (0.42) P2RX7GABRA1GABRB2CA1CA2
SCHEMBL12868087 0.79 P2RX7 (0.50) P2RX7GABRA1GABRG2GABRB3GABRB2
SCHEMBL4547921 0.79 P2RX7 (0.42) P2RX7CA2SLC6A2HTR2CHTR2B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884043-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
US-9603838-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
US-20150297566-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2015-10-22 US disclosed
US-9095583-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
US-20100102710-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-29 US disclosed
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 US disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 US disclosed
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-09 US disclosed
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 EP disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 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 (10 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-20150297566-A1 RORgammaT INHIBITORS RORB, RORC, RORA P2RX7 2197/4885GABRA1 209/4885GABRG2 146/4885
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same ALDH1A2, ODC1, NDUFS2 P2RX7 1548/4885GABRA1 3608/4885GABRG2 4378/4885
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same ALPI, IK, ALDH1A2 P2RX7 520/4885GABRA1 4353/4885GABRG2 4673/4885
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 P2RX7 1556/4885GABRA1 3507/4885GABRG2 4301/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA P2RX7 1905/4885GABRA1 210/4885GABRG2 138/4885
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same IK, TYR, EYA2 P2RX7 1208/4885GABRA1 4267/4885GABRG2 4431/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 P2RX7 172/4885GABRA1 195/4885GABRG2 201/4885
US-20100102710-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ODC1, AOX1, OR10J3 P2RX7 1036/4885GABRA1 3095/4885GABRG2 3868/4885
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 P2RX7 1556/4885GABRA1 3507/4885GABRG2 4301/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA P2RX7 1905/4885GABRA1 210/4885GABRG2 138/4885

“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.