SCHEMBL624820

SCHEMBL624820

CCN(CC)c1ccc(C2(C(=O)c3ccccn3)CCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 9/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.43
GFER P55789 2/20 0.43
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
HPGD P15428 2/20 0.38
PRCP P42785 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 0.82 ALDH1A1 (0.44) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL624814 0.79 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL625186 0.79 P2RX7 (0.46) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL626043 0.79 LMNA (0.47) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL625042 0.79 HTT (0.47) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL623923 0.78 PTGS2 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL15011536 0.76 TLR7 (0.51) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL625583 0.76 ALDH1A1 (0.44) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL14893836 0.73 TRPV3 (0.52) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL624915 0.73 HDAC4 (0.52) RAB9ANPC1MAPTALDH1A1MEN1

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 RAB9A 1762/4885NPC1 1833/4885MAPT 3652/4885

“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.