SCHEMBL10249345

SCHEMBL10249345

Cc1cccc(C[C@H](C)N)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.62
TAAR1 Q96RJ0 5/20 0.61
SLC6A2 P23975 2/20 0.61
MAOA P21397 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
CYP2A6 P11509 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
IDO1 P14902 2/20 0.53

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
SCHEMBL2563917 1.00 PNMT (0.62) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL12136140 1.00 PNMT (0.62) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL29968153 1.00 PNMT (0.62) PNMTTAAR1SLC6A2MAOASLC6A4
Hydrochloric Acid SCHEMBL30559539 0.98 PNMT (0.60) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL7694750 0.87 TAAR1 (0.55) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL24152546 0.86 TAAR1 (0.73) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL13387614 0.86 TAAR1 (0.73) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL4693239 0.86 TAAR1 (0.50) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL598282 0.84 TAAR1 (0.52) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL3126846 0.84 TAAR1 (0.48) PNMTTAAR1SLC6A2MAOASLC6A4

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
WO-2017098533-A2 PROCESS FOR PREPARATION OF LISDEXAMPHETAMINE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-06-15 WO disclosed
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA ASTELLAS PHARMA INC. (JP) 2012-10-04 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 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 (4 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-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME ADRA2C, HTR2C, HTR3A PNMT 26/4885TAAR1 445/4885SLC6A2 57/4885
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B PNMT 113/4885TAAR1 100/4885SLC6A2 36/4885
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA HTR2A, HTR2C, HTR3A PNMT 386/4885TAAR1 427/4885SLC6A2 279/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B PNMT 113/4885TAAR1 100/4885SLC6A2 36/4885

“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.