SCHEMBL625206

SCHEMBL625206

O=C(c1ccccn1)C1(c2ccccn2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
RIPK1 Q13546 1/20 0.42
HTT P42858 2/20 0.41
GSK3B P49841 1/20 0.41
GRM5 P41594 2/20 0.40
FPR2 P25090 1/20 0.40
RAB9A P51151 2/20 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
SCHEMBL29700950 0.84 HSD11B1 (0.43) HSD11B1CES2CES1ALDH1A1GRIN1
SCHEMBL24608768 0.84 HSD11B1 (0.43) HSD11B1CES2CES1ALDH1A1GRIN1
SCHEMBL29700945 0.84 HSD11B1 (0.43) HSD11B1CES2CES1ALDH1A1GRIN1
SCHEMBL27907574 0.83 HSD11B1 (0.50) HSD11B1CES2CES1L3MBTL1LMNA
SCHEMBL29750382 0.81 AKR1C1 (0.52) HSD11B1CES2CES1L3MBTL1LMNA
SCHEMBL2391256 0.81 AKR1C1 (0.52) HSD11B1CES2CES1L3MBTL1LMNA
SCHEMBL14893651 0.81 P2RX7 (0.40) HSD11B1CES2CES1L3MBTL1LMNA
SCHEMBL14893933 0.81 L3MBTL1 (0.48) CES2CES1L3MBTL1ALDH1A1KMT2A
SCHEMBL14893703 0.81 TLR7 (0.44) CES2CES1L3MBTL1ALDH1A1KMT2A
SCHEMBL626043 0.81 LMNA (0.47) HSD11B1CES2CES1L3MBTL1LMNA

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 HSD11B1 2616/4885CES2 4412/4885CES1 2841/4885

“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.