SCHEMBL3892

SCHEMBL3892

Cc1noc(-c2ccc(Br)cc2)c1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
ACHE P22303 8/20 0.48
BCHE P06276 4/20 0.47
BACE1 P56817 4/20 0.47
KMT2A Q03164 2/20 0.47
STAT3 P40763 1/20 0.45
ENPP2 Q13822 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NTSR1 P30989 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
Bicarbonate SCHEMBL18167236 0.84 STAT3 (0.47) SIGMAR1ACHEBCHESTAT3ENPP2
SCHEMBL13496 0.82 CYP2C9 (0.54) SIGMAR1ACHEBCHESTAT3ENPP2
SCHEMBL17819006 0.82 STAT3 (0.46) SIGMAR1ACHEBCHESTAT3ENPP2
SCHEMBL13675 0.80 CACNA1G (0.47) SIGMAR1ACHEBCHESTAT3ENPP2
SCHEMBL13493 0.78 ABCC3 (0.46) STAT3ENPP2KDM4EHTTTSHR
SCHEMBL13590 0.77 CACNA1G (0.44) SIGMAR1STAT3ENPP2HTTTSHR
SCHEMBL6625 0.77 LPAR1 (0.38) KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL28331173 0.75 KMT2A (0.67) SIGMAR1ACHEBCHEBACE1KMT2A
SCHEMBL10863 0.75 MTNR1A (0.38)
SCHEMBL4655 0.74 SLC18A3 (0.45) KMT2AKDM4EGAAHTTTSHR

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

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

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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 SIGMAR1 818/4885ACHE 3868/4885BCHE 3600/4885

“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.