SCHEMBL4761

SCHEMBL4761

Clc1ccccc1-c1cc(Br)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MAPKAPK2 P49137 1/20 0.43
MAPT P10636 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
IDO1 P14902 1/20 0.42
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GRM5 P41594 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 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
SCHEMBL5673245 0.81 CCR1 (0.46) MAPKAPK2MAPTHSP90AA1HSP90AB1IDO1
SCHEMBL28580746 0.78 ASIC3 (0.43) SMN1; SMN2MAPK1CLK4GRM5GABRA1
SCHEMBL28013790 0.78 NPC1 (0.51) SMN1; SMN2MAPKAPK2MAPTIDO1MAPK1
SCHEMBL27893662 0.78 ASIC3 (0.56) SMN1; SMN2MAPKAPK2MAPTHSP90AA1HSP90AB1
SCHEMBL27266767 0.78 MAPKAPK2 (0.43) SMN1; SMN2MAPKAPK2MAPTHSP90AA1HSP90AB1
SCHEMBL12303171 0.78 CCR1 (0.57) SMN1; SMN2MAPKAPK2MAPTHSP90AA1HSP90AB1
SCHEMBL2409291 0.77 CYP1A2 (0.44) SMN1; SMN2MAPKAPK2MAPTHSP90AA1HSP90AB1
SCHEMBL833371 0.75 KDM4E (0.48) SMN1; SMN2CYP1A2CYP2C19GRM5LMNA
SCHEMBL10939790 0.74 CYP1A2 (0.58) SMN1; SMN2MAPTHSP90AA1HSP90AB1IDO1
SCHEMBL550149 0.74 GRM5 (0.59) SMN1; SMN2MAPTHSP90AA1IDO1CYP19A1

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 19 patents. 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
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-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483251-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 SMN1; SMN2 4422/4885MAPKAPK2 924/4885MAPT 4435/4885
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 SMN1; SMN2 4422/4885MAPKAPK2 924/4885MAPT 4435/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 SMN1; SMN2 4422/4885MAPKAPK2 924/4885MAPT 4435/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 SMN1; SMN2 4422/4885MAPKAPK2 924/4885MAPT 4435/4885

“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.