SCHEMBL2604897

SCHEMBL2604897

CC[C@H](CN)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
SIGMAR1 Q99720 3/20 0.50
SLC6A2 P23975 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
EPHX1 P07099 1/20 0.48
TRPA1 O75762 1/20 0.47
CYP2D6 P10635 1/20 0.47
TP53 P04637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
SLC18A2 Q05940 1/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL4588322 1.00 TAAR1 (0.50) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL6563096 0.86 EPHX1 (0.56) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL516032 0.86 EPHX1 (0.56) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8087389 0.86 TRPA1 (0.54) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL3077663 0.86 TRPA1 (0.54) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Ammonia Solution, Strong SCHEMBL28248686 0.84 TRPA1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL2846535 0.83 SIGMAR1 (0.47) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL13767654 0.83 TAAR1 (0.47) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL9846054 0.83 SIGMAR1 (0.47) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL26267826 0.83 TAAR1 (0.47) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
US-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 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 (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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE TAAR1 4329/4885SIGMAR1 3369/4885SLC6A2 4635/4885
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 TAAR1 1066/4885SIGMAR1 896/4885SLC6A2 427/4885

“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.