SCHEMBL2477757

SCHEMBL2477757

C#CCNC[C@@H](CF)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAOB P27338 9/20 0.48
MAOA P21397 7/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
SNCA P37840 1/20 0.41
OPRK1 P41145 1/20 0.41
PKM P14618 1/20 0.41
KDM1A O60341 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TAAR1 Q96RJ0 3/20 0.37
SLC18A2 Q05940 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2471461 1.00 CYP1A2 (0.50) CYP1A2CYP2D6TSHRCYP3A4MAOB
SCHEMBL2477319 0.80 CYP1A2 (0.57) CYP1A2CYP2D6TSHRCYP3A4MAOB
SCHEMBL2474613 0.76 CYP1A2 (0.53) CYP1A2CYP2D6TSHRCYP3A4MAOB
SCHEMBL2474959 0.76 MAOB (0.52) TSHRCYP3A4MAOBMAOAKDM1A
SCHEMBL10062065 0.73 CYP1A2 (0.62) CYP1A2CYP2D6TSHRCYP3A4MAOB
SCHEMBL3469029 0.72 CSNK1E (0.49) CYP1A2CYP2D6TSHRCYP3A4MAOB
SCHEMBL11098310 0.70 EPHX1 (0.42) CYP1A2MAOATAAR1SLC18A2SIGMAR1
SCHEMBL3172135 0.70 GRIN1 (0.52) CYP1A2CYP2D6TSHRCYP3A4MAOB
N-Benzylpropargylamine SCHEMBL669952 0.69 PYCR1 (0.64) CYP1A2CYP2D6TSHRCYP3A4MAOB
SCHEMBL21880070 0.69 TAAR1 (0.54) CYP2D6CYP3A4MAOAKDM4ETAAR1

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-10266506-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2019-04-23 US disclosed
US-20180022719-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2018-01-25 US disclosed
EP-2388245-B1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2017-07-12 EP disclosed
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
EP-2217549-B1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2017-04-19 EP 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-2388245-A1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors Bayer Pharma AG (DE) 2011-11-23 EP disclosed
US-20110254522-A1 STANDBY POWER SUPPLY CIRCUIT HON HAI PRECISION INDUSTRY CO., LTD. (TW) 2011-10-20 US disclosed
EP-2374779-A1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20100233086-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-16 US disclosed
EP-2217549-A2 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-18 EP disclosed
US-20090191129-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS Lantheus Biosciences Ltd. (GB) 2009-07-30 US disclosed
WO-2009052970-A2 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-30 WO disclosed
EP-2053033-A1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors Bayer Schering Pharma AG (DE) 2009-04-29 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 (5 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-20180022719-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL CYP1A2 4196/4885CYP2D6 4401/4885TSHR 3272/4885
US-10266506-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PMP22, MEN1, VHL CYP1A2 4196/4885CYP2D6 4401/4885TSHR 3272/4885
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 CYP1A2 4196/4885CYP2D6 4401/4885TSHR 3272/4885
US-20090191129-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL CYP1A2 4196/4885CYP2D6 4401/4885TSHR 3272/4885
US-20100233086-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL CYP1A2 4196/4885CYP2D6 4401/4885TSHR 3272/4885

“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.