SCHEMBL25029796

SCHEMBL25029796

CNCCc1c[nH]c2nc(F)cc(OC(C)=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 12/20 0.40
▸ MTNR1B P49286 11/20 0.40
▸ HTR2B P41595 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ MPO P05164 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2D6 P10635 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL25029791 0.88 MTNR1A (0.40) MTNR1AMTNR1BHTR2BHTR2AMPO
SCHEMBL25988580 0.85 MTNR1A (0.34) MTNR1AMTNR1BHTR2B
SCHEMBL25029964 0.80 MPO (0.46) MTNR1AMTNR1BHTR2BHTR2AMPO
SCHEMBL25987650 0.78 HTR2A (0.50) HTR2BHTR2AMPOKDM4ENPSR1
SCHEMBL25030244 0.78 MTNR1A (0.43) MTNR1AMTNR1BHTR2AMPONQO2
SCHEMBL25028270 0.78 HTR2B (0.38) MTNR1AMTNR1BHTR2BHTR2AMPO
SCHEMBL25029895 0.73 MTNR1A (0.46) MTNR1AMTNR1BHTR2BHTR2AMPO
SCHEMBL23069143 0.73 MTNR1A (0.64) MTNR1AMTNR1BHTR2BHTR2AMPO
SCHEMBL29967548 0.73 MTNR1A (0.64) MTNR1AMTNR1BHTR2BHTR2AMPO
SCHEMBL25987632 0.71 HTR2A (0.38) MTNR1AMTNR1BHTR2ANQO2KDM4E

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-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
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 MTNR1A 124/4885MTNR1B 156/4885HTR2B 4/4885
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR HTR2C, HTR2A, HTR3B MTNR1A 293/4885MTNR1B 222/4885HTR2B 4/4885

“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.

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