SCHEMBL625925

SCHEMBL625925

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
P2RX7 Q99572 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 2/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ICMT O60725 1/20 0.39
GRM4 Q14833 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL15011470 0.89 P2RX7 (0.50) HDAC3HDAC1HDAC2HDAC6P2RX7
SCHEMBL624842 0.86 KMT2A (0.41) HDAC3HDAC1HDAC2HDAC6P2RX7
SCHEMBL625937 0.86 ALDH1A1 (0.49) HDAC1NPC1RAB9ATSHRLMNA
SCHEMBL626830 0.85 HSD17B14 (0.40) NPC1RAB9AALOX5LMNAGRM4
SCHEMBL626486 0.82 ALDH1A1 (0.43) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL625821 0.81 GRM4 (0.47) HDAC1NPC1RAB9ALMNANPSR1
SCHEMBL625335 0.79 MAP4K4 (0.45) P2RX7NPC1RAB9ATSHRLMNA
SCHEMBL626254 0.78 TLR7 (0.48) P2RX7GRM4ALDH1A1KMT2AMAPT
SCHEMBL1626768 0.77 ALDH1A1 (0.48) HDAC3HDAC1HDAC2HDAC6TSHR
SCHEMBL2702973 0.76 ALOX5 (0.50) HDAC3HDAC1HDAC2HDAC6ALOX5

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 HDAC3 613/4885HDAC1 995/4885HDAC2 823/4885

“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.