SCHEMBL3462009

SCHEMBL3462009

CC1CCCN1C(=O)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HPGD P15428 2/20 0.68
GLA P06280 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MC4R P32245 2/20 0.53
MC3R P41968 2/20 0.53
MC1R Q01726 2/20 0.53
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.50
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL12599420 1.00 ALDH1A1 (0.68) ALDH1A1HPGDGLASMN1; SMN2MC4R
SCHEMBL26125381 0.95 HPGD (0.74) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL13280179 0.95 HPGD (0.74) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL8696408 0.85 HPGD (0.63) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL21696916 0.84 POLB (0.62) ALDH1A1HPGDGLASMN1; SMN2POLB
SCHEMBL5677932 0.82 ALDH1A1 (0.52) ALDH1A1HPGDGLASMN1; SMN2MC4R
SCHEMBL10173178 0.82 ALDH1A1 (0.52) ALDH1A1HPGDGLASMN1; SMN2MC4R
SCHEMBL13379361 0.81 ALDH1A1 (0.49) ALDH1A1HPGDGLASMN1; SMN2MC4R
SCHEMBL16104917 0.81 DPP4 (0.69) ALDH1A1HPGDGLASMN1; SMN2HSD17B10
SCHEMBL474618 0.81 ACE (0.60) ALDH1A1SMN1; SMN2MC4RMC3RMC1R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017114510-A1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY, METHOD FOR PREPARATION THEREOF, AND USE THEREOF 中国科学院上海药物研究所 2017-07-06 WO disclosed
EP-2144874-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
WO-2008141011-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US 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 (2 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 1358/4885HPGD 81/4885GLA 1862/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 1358/4885HPGD 81/4885GLA 1862/4885

“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.