SCHEMBL7956903

SCHEMBL7956903

CNCC(C)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.57
SIGMAR1 Q99720 5/20 0.57
SLC18A2 Q05940 1/20 0.57
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
MAOA P21397 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 2/20 0.49
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL17992755 1.00 TAAR1 (0.57) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL11395950 0.84 SLC6A4 (0.60) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL24287739 0.81 TAAR1 (0.47) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL4785594 0.81 SIGMAR1 (0.64) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL27210144 0.81 TAAR1 (0.50) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL902381 0.81 SIGMAR1 (0.50) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL22957765 0.81 SIGMAR1 (0.52) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL11021208 0.81 SIGMAR1 (0.54) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL21880070 0.80 TAAR1 (0.54) TAAR1SIGMAR1SLC18A2SLC6A2SLC6A4
SCHEMBL7969024 0.79 CYP3A4 (0.42) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 US disclosed
EP-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
EP-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed
EP-2884280-B1 Method for evaluating the scent performance of perfumes and perfume mixtures SYMRISE AG (DE) 2018-05-09 EP disclosed
WO-2018051107-A1 FLUOROHYDROXYPROLINE DERIVATIVES USEFUL IN THE PREPARATION OF PROTEOLYSIS TARGETED CHIMERAS UNIVERSITY OF DUNDEE (GB) 2018-03-22 WO disclosed
US-9249186-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2016-02-02 US disclosed
US-9138486-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2015-09-22 US disclosed
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. 2014-12-11 US disclosed
US-8828401-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2014-09-09 US disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6271385-B1 FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP 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-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 TAAR1 4230/4885SIGMAR1 3298/4885SLC18A2 2867/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 TAAR1 1793/4885SIGMAR1 2051/4885SLC18A2 3952/4885

“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.