SCHEMBL5498

SCHEMBL5498

Brc1cccc(Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
KCNH2 Q12809 1/20 0.47
CALM1 P0DP23 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
PARP1 P09874 1/20 0.41
MBOAT4 Q96T53 1/20 0.39
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.36
ELANE P08246 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8739934 0.84 PARP1 (0.46) BRD4KCNH2KDM1AMAOAMAOB
SCHEMBL11330543 0.84 KCNH2 (0.62) BRD4KCNH2CALM1MAOAMAOB
SCHEMBL4665 0.82 CNR2 (0.42) BRD4KDM1AMAOAMAOBPARP1
Bromide SCHEMBL9391624 0.81 MBOAT4 (0.42) BRD4KDM1AMAOAMAOBALDH1A1
SCHEMBL4677 0.80 TAAR1 (0.42) MAOBRAB9AHTR2CHTR2B
SCHEMBL9391599 0.78 LTA4H (0.50) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL9390281 0.76 TAAR1 (0.49) MAOB
SCHEMBL9391799 0.76 POLB (0.50) ALDH1A1PARP1SMN1; SMN2MEN1KMT2A
SCHEMBL101950 0.76
SCHEMBL25205794 0.75 BRD4 (0.49) BRD4KCNH2CALM1ALDH1A1MBOAT4

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 27 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
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
US-20040073045-A1 Pyrrolidine derivative and process for producing the same EISAI CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375479-A9 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375465-A1 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
US-6620945-B2 Squalene synthetase inhibitors; antilipemic agents, anticholesterol agents EISAI CO., LTD. (JP) 2003-09-16 US disclosed
US-20030004208-A1 Process for producing stereoisomer of pyrrolidine derivative EISAI CO., LTD. (JP) 2003-01-02 US disclosed
EP-1256573-A1 Process for producing stereoisomer of pyrrolidine derivative Eisai Co., Ltd. (JP) 2002-11-13 EP disclosed
WO-1994026715-A1 AMIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-11-24 WO disclosed
US-3941796-A α-(Hydroxy and alkoxy substituted)phenyl-α-(2-piperidinyl)-methanols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-03-02 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BRD4 1103/4885KCNH2 2998/4885CALM1 3745/4885
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BRD4 1103/4885KCNH2 2998/4885CALM1 3745/4885
US-20030004208-A1 Process for producing stereoisomer of pyrrolidine derivative DHPS, SQLE, FDFT1 BRD4 1545/4885KCNH2 2169/4885CALM1 3733/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 BRD4 1103/4885KCNH2 2998/4885CALM1 3745/4885
US-20040073045-A1 Pyrrolidine derivative and process for producing the same DHPS, SQLE, FDFT1 BRD4 1958/4885KCNH2 1112/4885CALM1 3500/4885

“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.