SCHEMBL4436100

SCHEMBL4436100

CN1CCCc2ccc(NC(=O)c3ccc(-c4cccs4)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 8/20 0.55
TRPV1 Q8NER1 2/20 0.54
TP53 P04637 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
MCHR1 Q99705 1/20 0.49
HDAC1 Q13547 3/20 0.49
RORC P51449 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL4434512 0.85 CREBBP (0.73) CREBBPTRPV1TP53LMNARORC
SCHEMBL4424245 0.83 CREBBP (0.61) CREBBPTRPV1TP53LMNARORC
SCHEMBL4422899 0.83 CREBBP (0.67) CREBBPTRPV1TP53LMNARORC
SCHEMBL4426859 0.82 CREBBP (0.62) CREBBPTRPV1TP53LMNA
SCHEMBL4427367 0.82 CREBBP (0.56) CREBBPTRPV1TP53LMNAHDAC1
SCHEMBL13998316 0.82 TRPV1 (0.64) CREBBPTRPV1TP53LMNARORC
SCHEMBL4429044 0.82 CREBBP (0.60) CREBBPTRPV1TP53LMNARORC
SCHEMBL13865652 0.82 CREBBP (0.60) CREBBPTRPV1TP53LMNARORC
SCHEMBL13863830 0.81 CREBBP (0.60) CREBBPTRPV1
SCHEMBL4430324 0.80 TRPV1 (0.62) CREBBPTRPV1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 CREBBP 486/4885TRPV1 1/4885TP53 4256/4885

“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.