SCHEMBL2480261

SCHEMBL2480261

C#CCNC[C@@H](C)[C@@H](F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
KDM1A O60341 2/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
AOC3 Q16853 1/20 0.37
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APAF1 O14727 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33

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
SCHEMBL2476229 1.00 MAOA (0.40) MAOAMAOBKDM1ACYP3A4CYP2D6
SCHEMBL5794231 0.79 TAAR1 (0.55) MAOAMAOBKDM1ACYP3A4CYP2D6
SCHEMBL3172135 0.78 GRIN1 (0.52) MAOAMAOBKDM1ACYP3A4CYP2D6
SCHEMBL2474613 0.78 CYP1A2 (0.53) MAOAMAOBKDM1ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3650965 0.77 TAAR1 (0.58) MAOAMAOBKDM1ACYP3A4CYP2D6
SCHEMBL20525309 0.74 GBA1 (0.45) MAOAMAOBKDM1ACYP3A4CYP2D6
SCHEMBL17881888 0.74 GBA1 (0.45) MAOAMAOBKDM1ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9529870 0.72 GRIN1 (0.42) MAOAMAOBKDM1ACYP3A4CYP2D6
SCHEMBL2477319 0.71 CYP1A2 (0.57) MAOAMAOBKDM1ACYP3A4CYP2D6
SCHEMBL27790005 0.69 CYP3A4 (0.50) MAOAMAOBCYP3A4CYP2D6CYP1A2

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 MAOA 788/4885MAOB 206/4885KDM1A 4062/4885
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 MAOA 788/4885MAOB 206/4885KDM1A 4062/4885
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 MAOA 788/4885MAOB 206/4885KDM1A 4062/4885
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 MAOA 788/4885MAOB 206/4885KDM1A 4062/4885
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 MAOA 788/4885MAOB 206/4885KDM1A 4062/4885

“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.