SCHEMBL625186

SCHEMBL625186

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
NR3C1 P04150 2/20 0.40
KCNH2 Q12809 1/20 0.40

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 0.88 KMT2A (0.41) P2RX7ALDH1A1PTGS1PTGS2MEN1
SCHEMBL626177 0.86 ALDH1A1 (0.44) ALDH1A1PTGS2HTTMEN1KMT2A
SCHEMBL624814 0.86 ALDH1A1 (0.47) ALDH1A1HTTMEN1KMT2AIDO1
SCHEMBL626043 0.85 LMNA (0.47) ALDH1A1HTTMEN1KMT2ACES2
SCHEMBL626126 0.85 HSD17B14 (0.43) ALDH1A1HTTIDO1CES2CES1
SCHEMBL15011470 0.85 P2RX7 (0.50) P2RX7ALDH1A1HTTKMT2AIDO1
SCHEMBL15011536 0.85 TLR7 (0.51) ALDH1A1HTTMEN1KMT2ACES2
SCHEMBL625583 0.82 ALDH1A1 (0.44) P2RX7ALDH1A1HTTMEN1KMT2A
SCHEMBL625042 0.82 HTT (0.47) ALDH1A1HTTKMT2ACES2CES1
SCHEMBL623939 0.82 TLR7 (0.53) P2RX7ALDH1A1HTTMEN1KMT2A

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 P2RX7 33/4885ALDH1A1 2560/4885PTGS1 266/4885

“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.