SCHEMBL6816705

SCHEMBL6816705

Fc1ccc2c(C3=CCNCC3)coc2c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.45
HTR2C P28335 7/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
HTR6 P50406 3/20 0.37
HTR1A P08908 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
HTR1D P28221 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL31358023 0.78 HTR2A (0.39) HTR2CHTR6
Hydrochloric Acid SCHEMBL9933989 0.76 HTR2C (0.43) METHTR2CKDM4EALDH1A1HSD17B10
SCHEMBL6812574 0.76 HTR6 (0.47) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL6812096 0.74 HTR2C (0.55) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL6816720 0.73 HTR2C (0.43) METHTR2CKDM4EALDH1A1HSD17B10
SCHEMBL17234771 0.72 HTR2C (0.47) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4366189 0.72 CCNT1 (0.46) METHTR2CKDM4EALDH1A1HSD17B10
SCHEMBL3774531 0.71 CCNT1 (0.56) HTR2CKDM4EALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL13584450 0.71 HTR2C (0.54) HTR2CKDM4EALDH1A1HSD17B10MAPT
SCHEMBL5321082 0.68 HTR6 (0.50) HTR2CDRD2SIGMAR1CCNT1CDK9

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 MET 2942/4885HTR2C 1211/4885KDM4E 1462/4885

“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.