SCHEMBL25570733

SCHEMBL25570733

O=C(NCc1ccc(OCC(F)(F)F)cc1)N(Cc1ccc(F)cc1)C1CCN(C2CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.66
CYP1A2 P05177 2/20 0.66
HTR2C P28335 2/20 0.66
CYP2C19 P33261 2/20 0.66
KCNH2 Q12809 2/20 0.66
HTR2B P41595 1/20 0.66
ABCB11 O95342 1/20 0.63
ADRB2 P07550 1/20 0.63
CHRM2 P08172 1/20 0.63
CHRM1 P11229 1/20 0.63
DRD1 P21728 1/20 0.63
TBXA2R P21731 1/20 0.63
SLC6A2 P23975 1/20 0.63
GPR183 P32249 1/20 0.63
ADRA1A P35348 1/20 0.63
OPRM1 P35372 1/20 0.63
APLNR P35414 1/20 0.63
DRD3 P35462 1/20 0.63
CX3CR1 P49238 1/20 0.63
SLC6A3 Q01959 1/20 0.63

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
SCHEMBL25571423 0.90 HTR2A (0.80) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL25570054 0.89 HTR2A (0.83) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL25570727 0.85 HTR2A (0.76) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20767167 0.84 HTR2A (0.78) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20766129 0.84 HTR2A (0.78) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20766059 0.84 HTR2A (0.78) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL8088660 0.82 HTR2A (0.75) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20765891 0.82 HTR2A (0.77) HTR2ACYP1A2HTR2CCYP2C19KCNH2
SCHEMBL20765841 0.82 HTR2A (0.77) HTR2ACYP1A2HTR2CCYP2C19KCNH2
Hydrochloric Acid SCHEMBL4089131 0.81 HTR2A (0.74) HTR2ACYP1A2HTR2CCYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348421-A1 5-HT2A RECEPTOR INHIBITOR OR INVERSE AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LUYE INNOMIND PHARMA SHIJIAZHUANG CO., LTD. (CN) 2023-11-02 US disclosed
EP-4186893-A1 5-HT2A RECEPTOR INHIBITOR OR INVERSE AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Geneora Pharma (Shijiazhuang) Co., Ltd. (CN) 2023-05-31 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 (1 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-20230348421-A1 5-HT2A RECEPTOR INHIBITOR OR INVERSE AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HTR2A, HTR1A, HTR5A HTR2A 1/4885CYP1A2 550/4885HTR2C 6/4885

“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.