SCHEMBL25030193

SCHEMBL25030193

CNCCc1c[nH]c2c(C)c(F)cc(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.49
▸ HTR1A P08908 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MPO P05164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ NEK1 Q96PY6 2/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL25029861 0.86 MPO (0.44) HTR2AHTR1AMPO
SCHEMBL25029922 0.81 HTR1A (0.67) HTR2AHTR1AMPOHTR2CHTR1D
SCHEMBL30712090 0.80 HTR1A (0.66) HTR2AHTR1AKDM4EMPOMEN1
SCHEMBL25028270 0.79 HTR2B (0.38) HTR2AKDM4EMPOMEN1CYP2D6
SCHEMBL25028300 0.78 HTR1A (0.53) HTR2AHTR1AMPOHTR2CHTR1D
SCHEMBL31742886 0.76 HTR2A (0.65) HTR2AHTR1AKDM4EMPOMEN1
SCHEMBL25028193 0.75 HTR2A (0.60) HTR2AHTR1AKDM4EMPOMEN1
SCHEMBL31708139 0.74 HTR1A (0.66) HTR2AHTR1AKDM4EMPOMEN1
SCHEMBL31708081 0.74 HTR2A (0.61) HTR2AHTR1AKDM4EMPOMEN1
SCHEMBL25987650 0.73 HTR2A (0.50) HTR2AHTR1AKDM4EMPOMEN1

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 HTR2A 2/4885HTR1A 8/4885KDM4E 1490/4885
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR HTR2C, HTR2A, HTR3B HTR2A 2/4885HTR1A 9/4885KDM4E 2199/4885

“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