SCHEMBL13681568

SCHEMBL13681568

C/C(=C\C#N)c1cc(C)c(C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.49
▸ GABRG2 P18507 4/20 0.49
▸ GABRB3 P28472 4/20 0.49
▸ GABRB2 P47870 2/20 0.49
▸ GABRB1 P18505 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.34
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31

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
SCHEMBL13681563 0.91 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL13681556 0.87 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL13681475 0.85 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL13681534 0.82 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL13681526 0.77 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL13681571 0.77 PDE4A (0.49) GABRA1GABRG2GABRB3GABRB2PDE4A
SCHEMBL12311024 0.77 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL17873493 0.77 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL12311028 0.77 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL17873491 0.77 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2GABRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585861-B2 HIV replication inhibitors; for (multi)drug resistant HIV infection JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-08 — — US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 — — 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-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection REV1, CCNI, MCM6 GABRA1 4012/4885GABRG2 4088/4885GABRB3 3964/4885

“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.

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