SCHEMBL16368692

SCHEMBL16368692

O=CC1CCc2ccccc2C1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
IDO1 P14902 2/20 0.41
PDPK1 O15530 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP11B2 P19099 1/20 0.39
PIN1 Q13526 1/20 0.37
ACP3 P15309 1/20 0.37
SRD5A1 P18405 2/20 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
SCHEMBL9845721 0.79 IDO1 (0.44) HTR6IDO1PDPK1CA1CA2
SCHEMBL27668901 0.79 IDO1 (0.41) HTR6IDO1PDPK1CA1CA2
SCHEMBL27868055 0.79 DRD2 (0.46) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL14240894 0.79 BLM (0.47) HTR6IDO1PDPK1CA1CA2
Hydrochloric Acid SCHEMBL28648863 0.77 IDO1 (0.46) HTR6IDO1PDPK1CA1CA2
SCHEMBL10181685 0.77 IDO1 (0.48) HTR6IDO1PDPK1CA1CA2
SCHEMBL790430 0.77 IDO1 (0.48) HTR6IDO1PDPK1CA1CA2
SCHEMBL28745539 0.76 SIGMAR1 (0.54) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL9165650 0.73 IDO1 (0.46) HTR6IDO1PDPK1CA1CA2
SCHEMBL21937667 0.73 IDO1 (0.46) HTR6IDO1PDPK1CA1CA2

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-20150010504-A1 Antiviral Compounds with a Heterotricycle Moiety LUPIN LIMITED (IN) 2015-01-08 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-20150010504-A1 Antiviral Compounds with a Heterotricycle Moiety HCCS, UQCRB, HAVCR2 HTR6 3456/4885IDO1 2532/4885PDPK1 3066/4885

“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.