SCHEMBL625937

SCHEMBL625937

O=C(c1ccccn1)C1(c2ccccc2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
HTT P42858 1/20 0.45
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL624842 0.89 KMT2A (0.41) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL625335 0.89 MAP4K4 (0.45) ALDH1A1LMNATSHRNPSR1MAPT
SCHEMBL625925 0.86 HDAC3 (0.45) ALDH1A1LMNATSHRNPSR1USP2
SCHEMBL626254 0.86 TLR7 (0.48) ALDH1A1L3MBTL1HTTMAPTKMT2A
SCHEMBL626830 0.83 HSD17B14 (0.40) ALDH1A1LMNAL3MBTL1NAPRTP4HTM
SCHEMBL625821 0.83 GRM4 (0.47) ALDH1A1LMNANPSR1MAPTNPC1
SCHEMBL625343 0.83 TLR7 (0.50) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL626486 0.80 ALDH1A1 (0.43) ALDH1A1CYP2C19CYP2C9RAB9AHDAC1
SCHEMBL14893811 0.79 GRM4 (0.39) ALDH1A1LMNATSHRNPSR1L3MBTL1
SCHEMBL624814 0.78 ALDH1A1 (0.47) ALDH1A1LMNANPSR1L3MBTL1NAPRT

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 2560/4885LMNA 2468/4885TSHR 1091/4885

“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.