SCHEMBL804187

SCHEMBL804187

CCCCOCCn1cc(C2CCCCC2)c2ccc(COOCC)nc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 15/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL804023 0.81 CNR1 (0.35) HRH2CNR1CNR2HTR2AHTR2C
SCHEMBL804689 0.70 ALDH1A1 (0.32)
SCHEMBL14435340 0.67 SCN9A (0.45) HRH2CNR1CNR2HTR2AHTR2C
SCHEMBL4061658 0.60 HTR2A (0.46) HRH2HTR2AHTR2CHTR2B
SCHEMBL12127455 0.58 CCNE1 (0.42) CCNE1CDK2
SCHEMBL3788411 0.57 CAMKK2 (0.42) CCNE1CDK2
SCHEMBL19036962 0.54 HTR1B (0.50) CNR1CNR2
Cyclohexane SCHEMBL18261841 0.54 TSHR (0.60)
Cyclopropane SCHEMBL29221483 0.54 TSHR (0.60)
SCHEMBL10512965 0.54 NOS1 (0.44)

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH2 3712/4885CNR1 3860/4885CNR2 4449/4885

“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.