SCHEMBL31079489

SCHEMBL31079489

CN(C)CCn1ncc2cccc(O)c21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 9/20 0.45
▸ HTR2C P28335 7/20 0.42
▸ HEXA P06865 1/20 0.40
▸ HEXB P07686 1/20 0.40
▸ HTR2B P41595 5/20 0.38
▸ EGFR P00533 2/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KMO O15229 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
SCHEMBL7798203 0.77 HEXA (0.37) HTR2AHTR2CHEXAHEXBEGFR
SCHEMBL30839555 0.74 CYP1A2 (0.57) HTR2AHTR2CEGFRADRA2APOLB
SCHEMBL23370339 0.74 HTR2A (0.35) HTR2AHTR2CHTR2BADRA2AKMO
SCHEMBL2272282 0.73 KDM4E (0.42) HTR2AHTR2CHTR2BKDM4E
SCHEMBL24746489 0.72 HTR2C (0.59) HTR2AHTR2CHEXAHEXBHTR2B
SCHEMBL4956856 0.70 ADRA2A (0.37) HTR2AHTR2CHTR2BADRA2AKDM4E
SCHEMBL31079475 0.70 HTR2A (0.66) HTR2AHTR2CHTR2BEGFRADRA2A
SCHEMBL30498101 0.69 CASR (0.38) HTR2AHTR2CHTR2BEGFRKDM4E
SCHEMBL27199656 0.69 CASR (0.38) HTR2AHTR2CHTR2BEGFRKDM4E
SCHEMBL25975946 0.68 KMO (0.47) HTR2AHTR2CEGFRKCNH2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240342126-A1 HALLUCINOGEN-FATTY ACID COMBINATION MINDSET PHARMA INC. (CA) 2024-10-17 — — US 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-20240342126-A1 HALLUCINOGEN-FATTY ACID COMBINATION FAAH, HTR5A, FAAH2 HTR2A 8/4885HTR2C 5/4885HEXA 423/4885

“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