SCHEMBL4401430

SCHEMBL4401430

CN(C)CCc1c[nH]c2c(F)ccc(F)c12

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.78
HTR2A P28223 5/20 0.63
HTR2C P28335 5/20 0.63
HTR2B P41595 5/20 0.63
HTR6 P50406 3/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
MPO P05164 1/20 0.48
DRD1 P21728 1/20 0.48
HTR1E P28566 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
HTR5A P47898 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL25747524 0.88 HTR1A (1.00) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25282377 0.85 HTR1A (0.67) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL30483753 0.85 HTR1A (0.67) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25885809 0.84 HTR1A (0.62) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL24420538 0.81 HTR1A (0.69) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL25882719 0.80 HTR1A (0.53) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL12595658 0.80 HTR1A (0.60) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL26285388 0.79 HTR1A (0.64) HTR1AHTR2AHTR2CHTR2BHTR6
SCHEMBL2537704 0.79 HTR2A (0.59) HTR1AHTR2AHTR2CHTR6HTR1D
SCHEMBL31730633 0.79 HTR2A (0.59) HTR1AHTR2AHTR2CHTR6HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 US disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 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-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT HTR1A 26/4885HTR2A 27/4885HTR2C 30/4885

“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.