SCHEMBL11529129

SCHEMBL11529129

CC1(C)Cc2ccc(Cl)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PNMT P11086 1/20 0.39
AHR P35869 2/20 0.38
CMA1 P23946 1/20 0.38
SRD5A1 P18405 2/20 0.38
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
RECQL P46063 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL13248975 0.84 HTR2A (0.38) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL13799468 0.84 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTSRD5A1
SCHEMBL24990564 0.83 HTR2A (0.40) HTR2AHTR2CHTR2BPNMTAHR
SCHEMBL24387418 0.83 HTR2A (0.40) HTR2AHTR2CHTR2BPNMTAHR
SCHEMBL11529130 0.81 KMT2A (0.42) HTR2AHTR2CHTR2BKMT2APNMT
SCHEMBL23376900 0.77 MEN1 (0.49) MEN1KMT2AMAPK13DAPK3ROCK2
Hydrochloric Acid SCHEMBL9518179 0.77 SLC6A4 (0.39) HTR2AHTR2CHTR2BKMT2APNMT
SCHEMBL11530207 0.74 ADRA2A (0.41) MEN1KMT2AGAAMAPTMETAP1
Hydrochloric Acid SCHEMBL9518204 0.74 SLC6A3 (0.44) HTR2AHTR2CHTR2BPNMTSRD5A1
SCHEMBL1794485 0.73 PNMT (0.40) PNMTAHRCMA1PGRMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022090714-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
CN-114262250-A Synthetic method of aromatic ring benzyl ortho-position dialkyl 乐威医药(江苏)股份有限公司 2022-04-01 CN disclosed
US-10472336-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-12 US disclosed
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-07 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-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-4166131-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENT HEXACHIMIE SOCIETE ANONYME (FR) 1979-08-28 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 (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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 HTR2A 1444/4885HTR2C 1326/4885HTR2B 1129/4885
US-10472336-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT HTR2A 40/4885HTR2C 54/4885HTR2B 281/4885
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT HTR2A 40/4885HTR2C 54/4885HTR2B 281/4885

“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.