SCHEMBL625583

SCHEMBL625583

O=C(c1ccccn1)C1(c2ccc(Oc3ccccc3)cc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
PKM P14618 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
P2RX7 Q99572 1/20 0.40
MAPK14 Q16539 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC6A7 Q99884 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
SCHEMBL625713 0.89 ALDH1A1 (0.41) ALDH1A1HTTL3MBTL1LMNANAPRT
SCHEMBL624814 0.85 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1LMNANAPRT
SCHEMBL623939 0.84 TLR7 (0.53) ALDH1A1HTTL3MBTL1RAB9ANPC1
SCHEMBL625186 0.82 P2RX7 (0.46) ALDH1A1HTTL3MBTL1LMNANAPRT
SCHEMBL626177 0.82 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1LMNANAPRT
SCHEMBL626043 0.82 LMNA (0.47) ALDH1A1HTTL3MBTL1LMNANAPRT
SCHEMBL625042 0.82 HTT (0.47) ALDH1A1HTTL3MBTL1LMNANAPRT
SCHEMBL15011536 0.79 TLR7 (0.51) ALDH1A1HTTL3MBTL1KMT2AMEN1
SCHEMBL623923 0.78 PTGS2 (0.41) ALDH1A1HTTRAB9ANPC1PKM
SCHEMBL626126 0.76 HSD17B14 (0.43) ALDH1A1HTTL3MBTL1LMNANAPRT

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 ALDH1A1 2560/4885HTT 3886/4885L3MBTL1 4284/4885

“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.