SCHEMBL3290899

SCHEMBL3290899

CC1CN(C)CCc2c(Cl)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.56
ADRA2A P08913 3/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
HTR2C P28335 1/20 0.53
TSHR P16473 2/20 0.42
THPO P40225 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
HIF1A Q16665 1/20 0.42
DRD1 P21728 6/20 0.42
DRD2 P14416 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
PMP22 Q01453 3/20 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
SCHEMBL3285034 1.00 CYP2D6 (0.56) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3285493 1.00 CYP2D6 (0.56) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3283614 0.77 HTR2C (0.53) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3283933 0.77 HTR2C (0.53) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL3286362 0.77 HTR2C (0.53) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8028688 0.77 ADRA2A (0.50) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL9541303 0.73 ADRA2A (0.43) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2276424 0.73 PRCP (0.53) HTR2CTHPOHSD17B10HIF1ADRD1
SCHEMBL8083358 0.72 ADRA2A (1.00) CYP2D6ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL7568493 0.71 SIGMAR1 (0.54) THPOHSD17B10HIF1ADRD1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733204-A1 THERAPEUTIC AGENT FOR STRESS URINARY INCONTINENCE AND FECAL INCONTINENCE Takeda Pharmaceutical Company Limited (JP) 2020-11-04 EP disclosed
US-20130172322-A1 BENZAZEPINE DERIVATIVES USEFUL FOR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-8404675-B2 Benzazepine derivatives and methods of prophylaxis or treatment of 5HT2C receptor associated diseases ARENA PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20100173894-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. 2010-07-08 US disclosed
US-7704993-B2 Benzazepine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20070142357-A1 Benzazepine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-06-21 US disclosed
EP-1633720-A1 BENZAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2005003096-A1 BENZAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-01-13 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 (3 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-20100173894-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES HTR2C, TPH2, HTR2A CYP2D6 305/4885ADRA2A 47/4885ADRA2B 44/4885
US-20130172322-A1 BENZAZEPINE DERIVATIVES USEFUL FOR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES HTR2C, HTR2A, TPH2 CYP2D6 386/4885ADRA2A 37/4885ADRA2B 40/4885
US-20070142357-A1 Benzazepine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, TPH2, HTR2A CYP2D6 305/4885ADRA2A 47/4885ADRA2B 44/4885

“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.