SCHEMBL4155091

SCHEMBL4155091

CCCOc1cccnc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.55
GRM5 P41594 1/20 0.47
PDE5A O76074 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCHR1 Q99705 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 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
SCHEMBL4158695 0.91 S1PR4 (0.54) S1PR4PDE5APDE4APDE4BPDE4C
SCHEMBL3790540 0.84 S1PR4 (0.50) S1PR4GRM5PDE5ALMNASMN1; SMN2
SCHEMBL31362449 0.83 S1PR4 (0.58) S1PR4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL91148 0.81 S1PR4 (0.55) S1PR4PDE5ALMNASMN1; SMN2NPC1
SCHEMBL9980697 0.81 S1PR4 (0.55) S1PR4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL2842190 0.79 S1PR4 (0.54) S1PR4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6655861 0.78 CHRNB2 (0.51) GRM5PDE5APDE4APDE4BPDE4C
SCHEMBL27634546 0.78 GRM5 (0.48) GRM5PDE5APDE4APDE4BPDE4C
SCHEMBL570791 0.78 S1PR4 (0.45) S1PR4GRM5PDE5ALMNASMN1; SMN2
SCHEMBL1921438 0.77 LTA4H (0.56) GRM5PDE5APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
CN-103666450-A Blue-light organic electrophosphorescence material, and preparation method and application thereof ZHOU MINGJIE 2014-03-26 CN disclosed
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
US-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
EP-1943234-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2008-07-16 EP disclosed
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 WO disclosed
WO-2007051982-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2007-05-10 WO disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1664018-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 WO disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
EP-0797576-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1997-10-01 EP 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B S1PR4 963/4885GRM5 1410/4885PDE5A 994/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 S1PR4 1629/4885GRM5 1/4885PDE5A 2776/4885
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 S1PR4 2407/4885GRM5 2279/4885PDE5A 2122/4885
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 S1PR4 867/4885GRM5 1511/4885PDE5A 3120/4885

“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.