SCHEMBL10062064

SCHEMBL10062064

CN[C@H](CF)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.55
TAAR1 Q96RJ0 4/20 0.55
SLC18A2 Q05940 1/20 0.55
EPHX1 P07099 2/20 0.47
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
OPRM1 P35372 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
SCHEMBL18995778 1.00 SIGMAR1 (0.55) SIGMAR1TAAR1SLC18A2EPHX1SLC6A2
SCHEMBL1697045 0.87 SIGMAR1 (0.64) SIGMAR1TAAR1SLC18A2EPHX1SLC6A2
SCHEMBL12289294 0.81 SLC6A4 (0.61) SIGMAR1TAAR1SLC18A2EPHX1SLC6A4
SCHEMBL172645 0.81 SLC6A4 (0.61) SIGMAR1TAAR1SLC18A2EPHX1SLC6A4
SCHEMBL9341390 0.81 SLC6A4 (0.61) SIGMAR1TAAR1SLC18A2EPHX1SLC6A4
SCHEMBL1764932 0.79 TAAR1 (0.55) SIGMAR1TAAR1SLC18A2EPHX1SLC6A2
SCHEMBL10797818 0.79 TAAR1 (0.55) SIGMAR1TAAR1SLC18A2EPHX1SLC6A2
SCHEMBL2629129 0.79 SIGMAR1 (0.55) SIGMAR1TAAR1SLC18A2EPHX1SLC6A2
SCHEMBL21550512 0.79 TAAR1 (0.55) SIGMAR1TAAR1SLC18A2EPHX1SLC6A2
SCHEMBL1396350 0.79 MAPK1 (0.57) SIGMAR1TAAR1SLC18A2EPHX1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682944-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2017-06-20 US disclosed
US-20150030539-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2015-01-29 US disclosed
US-8784775-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2014-07-22 US disclosed
EP-2450332-A1 Compounds for use in Imaging, diagnosing and/or treatment of diseases of the central nervous system (F-D2-Deprenyl) Bayer Pharma Aktiengesellschaft (DE) 2012-05-09 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 (1 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-20150030539-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL SIGMAR1 3602/4885TAAR1 642/4885SLC18A2 26/4885

“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.