SCHEMBL4426962

SCHEMBL4426962

CC1CCN(c2ccc(C(=O)Nc3ccc4cccnc4c3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.49
MCHR1 Q99705 1/20 0.48
DGAT1 O75907 1/20 0.47
POLB P06746 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CHRNA7 P36544 1/20 0.46

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
SCHEMBL6865798 0.89 TRPV1 (0.48) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL4425249 0.88 TRPV1 (0.62) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL13930600 0.80 SMO (0.58) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4426813 0.75 TRPV1 (0.69) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL13998573 0.75 TRPV1 (0.69) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL12832029 0.75 SMO (0.77) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12017424 0.75 RAB9A (0.64) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2072142 0.74 MEN1 (0.67) TRPV1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13863916 0.74 KMT2A (0.65) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL13863915 0.73 MEN1 (0.64) TRPV1MEN1KMT2AMAPTNPC1

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 6 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
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
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 TRPV1 1/4885MEN1 3527/4885KMT2A 3992/4885

“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.