SCHEMBL624915

SCHEMBL624915

Cc1cccc(C2(C(=O)c3ccccn3)CCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GRM5 P41594 2/20 0.44
FPR2 P25090 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL626177 0.85 ALDH1A1 (0.44) KMT2AMEN1GRM5FPR2NPC1
SCHEMBL15011470 0.84 P2RX7 (0.50) KMT2ANPC1RAB9AALDH1A1HTT
SCHEMBL624174 0.81 TLR7 (0.50) KMT2AMEN1RAB9AALDH1A1CES1
SCHEMBL625713 0.81 ALDH1A1 (0.41) KMT2AMEN1NPC1RAB9APKM
SCHEMBL14893719 0.79 KMT2A (0.40) HDAC4KMT2AMEN1GRM5FPR2
SCHEMBL626043 0.79 LMNA (0.47) HDAC4KMT2AMEN1GRM5FPR2
SCHEMBL14893836 0.79 TRPV3 (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL626126 0.79 HSD17B14 (0.43) RAB9AALDH1A1HTTMAPTCES2
SCHEMBL624620 0.78 ALDH1A1 (0.43) KMT2AMEN1PKMALDH1A1HTT
SCHEMBL625382 0.78 RAB9A (0.46) GRM5NPC1RAB9APKMALDH1A1

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-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 HDAC4 450/4885KMT2A 4568/4885MEN1 4188/4885

“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.