SCHEMBL13799423

SCHEMBL13799423

CC1Cc2ccc(Br)cc2S1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.43
ADRA2A P08913 4/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL9367610 0.81 HTR2A (0.39) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL7914318 0.78 ACHE (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL12621066 0.77 KDM4E (0.43) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL14501950 0.77 ACHE (0.43) HTR2AHTR2CKDM4EALDH1A1BRD4
SCHEMBL630847 0.74 KDM4E (0.62) HTR2AHTR2CHTR2BOPRM1KDM4E
SCHEMBL17875134 0.72 PBRM1 (0.36) PNMTADRA2AADRA2BADRA2CKDM4E
SCHEMBL8110022 0.72 KDM4E (0.54) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL1105143 0.72 NPC1 (0.39) PNMTADRA2AADRA2BADRA2CKDM4E
SCHEMBL8284519 0.71 MEN1 (0.50) HTR2CKDM4EALDH1A1BRD4CREBBP
SCHEMBL8267475 0.71 MEN1 (0.50) HTR2CKDM4EALDH1A1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 PNMT 4724/4885ADRA2A 1959/4885ADRA2B 1980/4885

“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.