SCHEMBL4771

SCHEMBL4771

Clc1ccccc1-c1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.47
USP7 Q93009 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TRPA1 O75762 1/20 0.41
CTSA P10619 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.39
NPY5R Q15761 1/20 0.39
PTK2 Q05397 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL5110030 0.80 AHR (0.48) CYP2A6NPC1RAB9AALDH1A1TP53
SCHEMBL13778315 0.78 CYP2A6 (0.47) CYP2A6USP7NPC1RAB9AALDH1A1
SCHEMBL431784 0.78 CYP11B2 (0.51) CYP2A6NPC1RAB9ATRPA1CTSA
SCHEMBL27783776 0.78 KDM1A (0.49) CYP2A6NPC1RAB9AALDH1A1HSD17B10
SCHEMBL5109073 0.78 CYP2A6 (0.51) CYP2A6NPC1RAB9AALDH1A1TRPA1
SCHEMBL3366249 0.78 USP7 (0.49) CYP2A6USP7NPC1RAB9AALDH1A1
SCHEMBL31226272 0.78 USP7 (0.53) CYP2A6USP7NPC1RAB9AALDH1A1
SCHEMBL5888962 0.77 CYP2A6 (0.40) CYP2A6NPC1RAB9AALDH1A1HSD17B10
SCHEMBL1935147 0.76 CYP11B1 (0.49) CYP2A6NPC1RAB9AALDH1A1TP53
SCHEMBL28503202 0.76 CYP2A6 (0.39) CYP2A6PTK2KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
CN-102770415-A Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-11-07 CN disclosed
CN-102656168-A Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-09-05 CN disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110077395-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
US-20110077395-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 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 (5 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-20110077395-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I HSD11B1, HSD3B1, HSD17B1 CYP2A6 249/4885USP7 1528/4885NPC1 303/4885
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP2A6 3606/4885USP7 3708/4885NPC1 339/4885
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP2A6 3606/4885USP7 3708/4885NPC1 339/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP2A6 3606/4885USP7 3708/4885NPC1 339/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 CYP2A6 3606/4885USP7 3708/4885NPC1 339/4885

“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.