SCHEMBL6812102

SCHEMBL6812102

NC(=O)c1ccc2c(C3CCN(C(=O)O)CC3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
PARP10 Q53GL7 6/20 0.43
PARP14 Q460N5 5/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SLC9A1 P19634 5/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 1/20 0.38
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL6812379 0.83 GPR119 (0.53) HTR1DHTR1BPARP14
SCHEMBL6810820 0.82 IDO1 (0.45) HRH3MEN1KMT2ADRD2SLC6A4
SCHEMBL28805535 0.81 HRH3 (0.56) HTR1DHTR1BHRH3CYP2C9CYP2C19
SCHEMBL30735595 0.81 IKBKB (0.46) HTR1DHTR1BSLC6A4
SCHEMBL19284588 0.81 IKBKB (0.46) HTR1DHTR1BSLC6A4
Hydrochloric Acid SCHEMBL19284589 0.80 IKBKB (0.45) HTR1DHTR1BSLC6A4
SCHEMBL6816748 0.79 SLC6A4 (0.48) HTR1DHTR1BHRH3SLC9A1CYP2C9
SCHEMBL10148398 0.77 PTPN1 (0.58) CYP2D6MEN1KMT2ASLC6A4PTPN1
SCHEMBL21061140 0.76 IDO1 (0.50) CYP2C9CYP2C19
SCHEMBL19284564 0.75 P2RY14 (0.51) MEN1KMT2A

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
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR1D 124/4885HTR1B 373/4885PARP10 1051/4885

“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.