SCHEMBL10168756

SCHEMBL10168756

Cc1ccc(C2(C)CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAOB P27338 4/20 0.36
MAOA P21397 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL8297045 0.84 ACHE (0.44) OPRM1L3MBTL1MAOBMAOACHRNA1
SCHEMBL5211296 0.81 TAAR1 (0.43) LMNAL3MBTL1POLBCCR9KDM4E
SCHEMBL26502704 0.81 HDAC3 (0.38) LMNAMAOBMAOACHRNA1CHRNG
SCHEMBL16357120 0.81 ALDH1A1 (0.42) LMNACYP3A4L3MBTL1ACHECCR9
SCHEMBL17807530 0.81 ALDH1A1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL343450 0.80 ALDH1A1 (0.45) LMNAOPRM1CYP2C9CYP2C19L3MBTL1
SCHEMBL24922050 0.80 LMNA (0.41) LMNAOPRM1CYP3A4CYP2C9PKM
SCHEMBL8297897 0.79 MAOB (0.40) OPRM1L3MBTL1MAOBMAOACHRNA1
SCHEMBL11800829 0.79 KMT2A (0.42) OPRM1MAOBMAOAPOLBACHE
SCHEMBL10136472 0.78 NPC1 (0.37) LMNAL3MBTL1POLBTDP1CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
US-8481579-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
WO-2008010934-A2 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2008-01-24 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 (5 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-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 LMNA 4279/4885OPRM1 1458/4885CYP3A4 2343/4885
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 LMNA 4052/4885OPRM1 1236/4885CYP3A4 2084/4885
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 LMNA 4052/4885OPRM1 1236/4885CYP3A4 2084/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 LMNA 4279/4885OPRM1 1458/4885CYP3A4 2343/4885
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA LMNA 2201/4885OPRM1 56/4885CYP3A4 115/4885

“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.