SCHEMBL2477572

SCHEMBL2477572

C[C@@H](C#CCN)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
TAAR1 Q96RJ0 4/20 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
CYP2D6 P10635 2/20 0.47
EPHX1 P07099 1/20 0.43
SLC18A2 Q05940 1/20 0.42
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL17802435 1.00 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL3680285 0.78 TAAR1 (0.57) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL19899811 0.78 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL5594577 0.76 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL367519 0.76 TRPA1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL28420192 0.76 MAOA (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL2480450 0.74 TAAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL2472922 0.73 TAAR1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL6387963 0.73 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL6014619 0.72 TAAR1 (0.48) TAAR1CYP1A2CYP3A4CYP2C9CYP2C19

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 13 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
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
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 SIGMAR1 3602/4885TAAR1 642/4885SLC6A2 151/4885
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 SIGMAR1 3602/4885TAAR1 642/4885SLC6A2 151/4885
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 SIGMAR1 3602/4885TAAR1 642/4885SLC6A2 151/4885
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 SIGMAR1 3602/4885TAAR1 642/4885SLC6A2 151/4885
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 SIGMAR1 3602/4885TAAR1 642/4885SLC6A2 151/4885

“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.