SCHEMBL9908230

SCHEMBL9908230

CC(C)N(C)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
TAAR1 Q96RJ0 2/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
AOC3 Q16853 2/20 0.39
ESR1 P03372 2/20 0.38
RORC P51449 4/20 0.38
NISCH Q9Y2I1 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
SLC6A3 Q01959 1/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL14862656 0.98 SLC6A2 (0.44) SLC6A2SLC6A4TAAR1LMNATSHR
SCHEMBL19194548 0.76 MAPT (0.45) LMNATSHRNSD2ALDH1A1EGFR
SCHEMBL2314697 0.75 TSHR (0.47) SLC6A2SLC6A4TAAR1LMNATSHR
SCHEMBL28648629 0.75 SLC6A2 (0.41) SLC6A2SLC6A4TAAR1LMNATSHR
SCHEMBL4192764 0.74 TAAR1 (0.42) TAAR1LMNATSHRESR1NSD2
SCHEMBL12815484 0.74 SLC6A2 (0.44) SLC6A2SLC6A4LMNATSHRESR1
SCHEMBL9908231 0.74 FSCN1 (0.52) LMNATSHRALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL2867614 0.73 TSHR (0.45) SLC6A2SLC6A4TAAR1LMNATSHR
SCHEMBL10875540 0.73 TSHR (0.45) SLC6A2SLC6A4TAAR1LMNATSHR
SCHEMBL23278085 0.73 CHEK1 (0.42) SLC6A2SLC6A4TAAR1LMNATSHR

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
CN-1305863-C Method for synthesizing (S)-isopropyl-(2-piperidine) phenyl-methylhistamine UNIV ZHEJIANG (CN) 2007-03-21 CN claimed
CN-1660826-A Method for synthesizing (S)-isopropyl-(2-piperidine) phenyl-methylhistamine UNIV ZHEJIANG (CN) 2005-08-31 CN claimed
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US disclosed
CN-1305863-C Method for synthesizing (S)-isopropyl-(2-piperidine) phenyl-methylhistamine UNIV ZHEJIANG (CN) 2007-03-21 CN disclosed
CN-1660826-A Method for synthesizing (S)-isopropyl-(2-piperidine) phenyl-methylhistamine UNIV ZHEJIANG (CN) 2005-08-31 CN 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-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 SLC6A2 2328/4885SLC6A4 1970/4885TAAR1 250/4885
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 SLC6A2 1983/4885SLC6A4 1863/4885TAAR1 372/4885

“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.