SCHEMBL6501644

SCHEMBL6501644

CC1C=C(c2c[nH]c3c(F)c(F)ccc23)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.43
HTR2A P28223 1/20 0.42
AR P10275 6/20 0.36
HTR1B P28222 2/20 0.34
MAPT P10636 1/20 0.32
TDO2 P48775 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6503216 0.80 TDO2 (0.50) HTR1DHTR2AHTR1BTDO2SLC6A4
SCHEMBL21714635 0.73 HTR2A (0.51) HTR2ASLC6A4
SCHEMBL6491562 0.72 AR (0.40) HTR1DHTR2AARMAPTKDM4E
SCHEMBL6499646 0.69 SLC6A4 (0.39) HTR1DHTR1BMAPTSLC6A4KDM4E
SCHEMBL6492320 0.68 HTR1D (0.37) HTR1DHTR2AAR
SCHEMBL6492415 0.67 AR (0.42) HTR1DHTR2AAR
SCHEMBL6502167 0.67 TDO2 (0.45) HTR1DHTR2AHTR1BTDO2SLC6A4
SCHEMBL31358064 0.65 HTR2A (0.49) HTR1DHTR2A
SCHEMBL6812096 0.64 HTR2C (0.55) HTR1DHTR2AARMAPTKDM4E
SCHEMBL25417441 0.63 PDK1 (0.34)

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-6844338-B2 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A HTR1D 2/4885HTR2A 24/4885AR 299/4885

“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.