SCHEMBL626486

SCHEMBL626486

O=C(c1ccccn1)C1(c2cccc(OC(F)(F)F)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ALOX5 P09917 4/20 0.38
GRM4 Q14833 2/20 0.38
GRM5 P41594 1/20 0.38
DYRK1A Q13627 1/20 0.37
PKLR P30613 1/20 0.37
SCN9A Q15858 1/20 0.36
SLC6A7 Q99884 1/20 0.36
PDE5A O76074 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL625382 0.90 RAB9A (0.46) ALDH1A1RAB9AHDAC6HDAC3HDAC1
SCHEMBL625343 0.88 TLR7 (0.50) ALDH1A1RAB9ATLR7
SCHEMBL14894668 0.85 RAB9A (0.42) ALDH1A1RAB9AHDAC6HDAC3HDAC1
SCHEMBL625925 0.82 HDAC3 (0.45) ALDH1A1RAB9AHDAC6HDAC3HDAC1
SCHEMBL625937 0.80 ALDH1A1 (0.49) ALDH1A1RAB9AHDAC1CYP2C9CYP2C19
SCHEMBL626254 0.78 TLR7 (0.48) ALDH1A1TLR7GRM4
SCHEMBL623939 0.78 TLR7 (0.53) ALDH1A1RAB9ATLR7
SCHEMBL626830 0.78 HSD17B14 (0.40) ALDH1A1RAB9AALOX5GRM4
SCHEMBL624842 0.76 KMT2A (0.41) ALDH1A1RAB9AHDAC6HDAC3HDAC1
SCHEMBL625821 0.75 GRM4 (0.47) ALDH1A1RAB9AHDAC1GRM4

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 2560/4885RAB9A 1762/4885HDAC6 1203/4885

“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.