SCHEMBL4395931

SCHEMBL4395931

CN(C)CCc1c[nH]c2c(F)cc(F)c(OCc3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
HTR1D P28221 3/20 0.53
TRPM8 Q7Z2W7 2/20 0.53
HTR1A P08908 3/20 0.51
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A4 P31645 1/20 0.46
BCHE P06276 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
HTR6 P50406 2/20 0.40

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
SCHEMBL1163398 0.84 HTR2A (0.66) HTR2AHTR1DTRPM8HTR1AHTR2C
SCHEMBL1163155 0.82 HTR2A (0.67) HTR2AHTR1DTRPM8HTR1AHTR2C
SCHEMBL13592867 0.81 HTR1A (0.50) HTR2AHTR1DTRPM8HTR1AHTR2C
SCHEMBL4397110 0.78 HTR2A (0.42) HTR2AHTR1DTRPM8HTR2CHTR2B
SCHEMBL1163811 0.76 HTR2A (0.71) HTR2AHTR1DTRPM8HTR1AHTR2C
SCHEMBL30954332 0.76 HTR2A (0.71) HTR2AHTR1DTRPM8HTR1AHTR2C
SCHEMBL24420538 0.76 HTR1A (0.69) HTR2AHTR1DHTR1AHTR2CHTR2B
SCHEMBL27189518 0.75 HTR2A (0.67) HTR2AHTR1DTRPM8HTR1AHTR2C
SCHEMBL27189554 0.75 HTR2A (0.64) HTR2AHTR1DTRPM8HTR1AHTR2C
SCHEMBL27189559 0.74 HTR2A (0.66) HTR2AHTR1DTRPM8HTR1AHTR2C

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-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 HTR2A 27/4885HTR1D 50/4885TRPM8 2894/4885

“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.