SCHEMBL3705419

SCHEMBL3705419

CCC(C)[C@H](N)C(=O)Nc1cccc2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 13/20 0.48
▸ CDK5 Q00535 2/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CIT O14578 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3661202 0.91 TRPV1 (0.59) TRPV1LMNAALDH1A1
SCHEMBL3634045 0.77 MEN1 (0.58) TRPV1HDAC6LMNAALDH1A1
SCHEMBL30645377 0.75 MEN1 (0.53) TRPV1CDK5CCNE1CDK2HDAC6
SCHEMBL9651248 0.75 MEN1 (0.53) TRPV1CDK5CCNE1CDK2HDAC6
SCHEMBL2321594 0.75 KDM4E (0.67) TRPV1CDK5CCNE1CDK2HDAC6
SCHEMBL30600745 0.73 TRPV1 (0.52) TRPV1CDK5CCNE1CDK2HDAC6
SCHEMBL19976898 0.73 MEN1 (0.51) TRPV1HDAC6LMNAALDH1A1
SCHEMBL9669762 0.72 KDM4E (0.47) HDAC6
SCHEMBL9669752 0.72 KDM4E (0.47) HDAC6
SCHEMBL3705416 0.72 HDAC6 (0.44) TRPV1CDK5CCNE1CDK2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 — — US claimed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 — — US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 — — US disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 — — 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 (2 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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 TRPV1 125/4885CDK5 851/4885CCNE1 3819/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 TRPV1 125/4885CDK5 851/4885CCNE1 3819/4885

“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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