SCHEMBL5953558

SCHEMBL5953558

CC1=Cc2ccc(Cl)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
AHR P35869 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
METAP1 P53582 1/20 0.35
CYP3A4 P08684 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
PNMT P11086 1/20 0.33
PGR P06401 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CMA1 P23946 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B3 P37058 1/20 0.32

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
SCHEMBL5954069 0.83 DRD2 (0.48) DRD2DRD4AHRHTR2AHTR2C
SCHEMBL13799413 0.79 DRD1 (0.40) DRD2DRD4
Hydrochloric Acid SCHEMBL28666905 0.78 AHR (0.38) DRD2DRD4AHRHTR2AHTR2C
SCHEMBL7776545 0.78 METAP1 (0.37) METAP1CYP3A4CYP2A6CA12CA9
SCHEMBL30467249 0.78 METAP1 (0.37) METAP1CYP3A4CYP2A6CA12CA9
SCHEMBL2973732 0.75 ALDH1A1 (0.37) AHRHTR2AHTR2CMETAP1CA1
SCHEMBL4020099 0.75 AHR (0.36) DRD2DRD4AHRHTR2AHTR2C
SCHEMBL21694433 0.75 ALDH1A1 (0.42) CYP3A4
SCHEMBL5953463 0.75 AHR (0.33) DRD2DRD4AHRHTR2AHTR2C
SCHEMBL5953678 0.75 MCHR1 (0.33) DRD2DRD4AHRHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US claimed
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN claimed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP claimed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO claimed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-7309719-B1 Storage stability; gabapentin and pregabalin, and neutral alpha -amino acid WARNER LAMBERT COMPANY, LLC (US) 2007-12-18 US disclosed
US-20060052620-A1 Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US disclosed
CN-1653021-A Preparation of substituted indenes BASELL POLYOLEFINE GMBH (DE) 2005-08-10 CN disclosed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 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 (2 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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 DRD2 2060/4885DRD4 1653/4885AHR 3196/4885
US-20060052620-A1 Preparation of substituted indenes INTS9, CYP1A2, INF2 DRD2 3715/4885DRD4 2212/4885AHR 140/4885

“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.