SCHEMBL135747

SCHEMBL135747

CNC(CCN)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
ADRB2 P07550 1/20 0.42
TAAR1 Q96RJ0 1/20 0.38
AOC3 Q16853 1/20 0.37
UTS2R Q9UKP6 4/20 0.36
BRD4 O60885 1/20 0.36
GABBR2 O75899 3/20 0.36
GABBR1 Q9UBS5 3/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 2/20 0.36
FFAR2 O15552 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NFKB1 P19838 1/20 0.36
DRD3 P35462 1/20 0.36
BLM P54132 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL11607361 0.84 ADRB2 (0.45) SLC6A4SLC6A3ADRB2AOC3GABBR2
SCHEMBL15787650 0.82 CYP1A2 (0.39) TAAR1UTS2RLMNACYP2C9CYP3A4
SCHEMBL25487567 0.82 SLC6A4 (0.40) SLC6A4SLC6A3ADRB2TAAR1UTS2R
SCHEMBL15787626 0.82 CYP1A2 (0.39) TAAR1UTS2RLMNACYP2C9CYP3A4
SCHEMBL11174386 0.80 HRH1 (0.56) SLC6A4SLC6A3TAAR1AOC3CYP2C9
SCHEMBL14261910 0.79 SLC6A4 (0.43) SLC6A4TAAR1AOC3SLC6A2
SCHEMBL436301 0.78 UTS2R (0.40) SLC6A4SLC6A3ADRB2UTS2RLMNA
SCHEMBL5320420 0.78 UTS2R (0.42) SLC6A4SLC6A3UTS2RBRD4FFAR2
SCHEMBL6278630 0.78 ATP1A1 (0.42) SLC6A4SLC6A3ADRB2TAAR1AOC3
SCHEMBL28338266 0.78 GAA (0.45) SLC6A4SLC6A3ADRB2TAAR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
EP-1768966-A1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS Infinity Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
US-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
WO-2006009869-A1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 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 (1 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-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 SLC6A4 4326/4885SLC6A3 4000/4885ADRB2 4726/4885

“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.