SCHEMBL6816720

SCHEMBL6816720

Fc1ccc(C2=CCNCC2)c2occc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR6 P50406 2/20 0.38
HTR1A P08908 1/20 0.38
DRD3 P35462 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
QDPR P09417 1/20 0.37
MET P08581 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
Hydrochloric Acid SCHEMBL9933989 0.89 HTR2C (0.43) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6333466 0.74 CDK9 (0.36) CCNT1CDK9
SCHEMBL6588923 0.74 HTR2C (0.51) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL6816705 0.73 MET (0.45) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9934106 0.71 HTR2C (0.47) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL8322515 0.71 HTR2C (0.47) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL5321082 0.69 HTR6 (0.50) HTR2CSIGMAR1DRD2HTR6CCNT1
Hydrochloric Acid SCHEMBL29882492 0.69 HTR6 (0.50) HTR2CSIGMAR1DRD2HTR6CCNT1
SCHEMBL1513540 0.69 HTR6 (0.50) HTR2CSIGMAR1DRD2HTR6CCNT1
SCHEMBL2269949 0.68 HTR2C (0.61) HTR2CSIGMAR1KDM4EALDH1A1MAPT

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR2C 1211/4885SIGMAR1 316/4885KDM4E 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.