SCHEMBL25029964

SCHEMBL25029964

CNCCc1c[nH]c2cc(F)cc(OC(C)=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.46
▸ MTNR1A P48039 6/20 0.46
▸ MTNR1B P49286 6/20 0.46
▸ HTR2A P28223 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR1A P08908 2/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NQO2 P16083 1/20 0.39
▸ SPR P35270 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38

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
SCHEMBL25030304 0.88 MPO (0.48) MPOMTNR1AMTNR1BHTR2ANOTUM
SCHEMBL29967548 0.81 MTNR1A (0.64) MPOMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL23069143 0.81 MTNR1A (0.64) MPOMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL25029796 0.80 MTNR1A (0.40) MPOMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL25029895 0.79 MTNR1A (0.46) MPOMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL25028270 0.79 HTR2B (0.38) MPOMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL31708139 0.78 HTR1A (0.66) MPOMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL25295069 0.72 MTNR1A (0.61) MPOMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL29437233 0.72 MTNR1A (0.61) MPOMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL25030244 0.72 MTNR1A (0.43) MPOMTNR1AMTNR1BHTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055766-A Magic and non-magic serotonin receptor agonist and its preparing process and usage 库莱恩有限责任公司 2024-05-17 — — CN disclosed
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 — — US disclosed
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 — — US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 — — US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 — — US disclosed
WO-2023018864-A1 HALLUCINOGENIC AND NON-HALLUCINOGENIC SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME PSILOSTERICS, LLC (US) 2023-02-16 — — WO 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 (2 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-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor HTR2C, HTR2A, HTR3C MPO 4717/4885MTNR1A 124/4885MTNR1B 156/4885
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR HTR2C, HTR2A, HTR3B MPO 3274/4885MTNR1A 293/4885MTNR1B 222/4885

“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.

Send feedback