SCHEMBL2736624

SCHEMBL2736624

C[C@H](CN)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.60
SIGMAR1 Q99720 4/20 0.60
SLC6A2 P23975 2/20 0.60
MAOA P21397 1/20 0.60
SLC6A4 P31645 1/20 0.60
SLC6A3 Q01959 1/20 0.60
CYP2A6 P11509 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
CYP2D6 P10635 1/20 0.56
EPHX1 P07099 1/20 0.52
SLC18A2 Q05940 1/20 0.50
TRPA1 O75762 1/20 0.48
LOXL2 Q9Y4K0 1/20 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
SCHEMBL681082 1.00 TAAR1 (0.60) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL21755872 1.00 TAAR1 (0.60) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Hydrochloric Acid SCHEMBL28389719 0.98 TAAR1 (0.58) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Hydrochloric Acid SCHEMBL20746142 0.98 TAAR1 (0.58) TAAR1SIGMAR1SLC6A2MAOASLC6A4
Ammonia Solution, Strong SCHEMBL11021206 0.98 TAAR1 (0.58) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL4785594 0.85 SIGMAR1 (0.64) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL24823756 0.82 AGXT (0.49) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11439744 0.82 LTA4H (0.48) MAOA
SCHEMBL11380543 0.82 SLC6A4 (0.69) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11440388 0.82 MAOB (0.60) SIGMAR1SLC6A2MAOASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352883-A1 METHODS OF TREATMENT USING AMPHETAMINE CONTROLLED RELEASE, PRODRUG, AND ABUSE-DETERRENT DOSAGE FORMS CHEMAPOTHECA, LLC (US) 2020-11-12 US disclosed
EP-3090748-B1 COMPOSITIONS COMPRISING NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2044070-B1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
EP-1357111-B1 2-PYRIDONE DERIVATIVES HAVING AFFINITY FOR CANNABINOID TYPE 2 RECEPTOR SHIONOGI & CO (JP) 2009-08-05 EP disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 TAAR1 569/4885SIGMAR1 65/4885SLC6A2 4016/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R TAAR1 174/4885SIGMAR1 524/4885SLC6A2 2554/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK TAAR1 693/4885SIGMAR1 3699/4885SLC6A2 1483/4885
US-20200352883-A1 METHODS OF TREATMENT USING AMPHETAMINE CONTROLLED RELEASE, PRODRUG, AND ABUSE-DETERRENT DOSAGE FORMS SLC6A3, SLC6A2, CES2 TAAR1 40/4885SIGMAR1 67/4885SLC6A2 2/4885

“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.