SCHEMBL5777870

SCHEMBL5777870

Cc1ccc(C)n1-c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL18586993 0.84 MAPT (0.45) KDM4EALDH1A1MAPTL3MBTL1MEN1
SCHEMBL30464689 0.78 HTR3E (0.50) GRIN2BALOX5KDM4EALDH1A1MAPT
SCHEMBL2019468 0.78 HTR3E (0.50) GRIN2BALOX5KDM4EALDH1A1MAPT
SCHEMBL2969497 0.76 KDM4E (0.33) KDM4EALDH1A1MAPTL3MBTL1MEN1
SCHEMBL1455672 0.75 HTR3E (0.50) ALOX5KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL5471490 0.75 NOS3 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8354518 0.75 KDM4E (0.38) KDM4EALDH1A1MAPTL3MBTL1MEN1
SCHEMBL6696955 0.74 RAB9A (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5467723 0.74 PTGER1 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5672182 0.73 KDM4E (0.38) KDM4EALDH1A1MAPTL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
EP-3193880-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2020-03-25 EP disclosed
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 WO disclosed
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 WO disclosed
WO-2020030754-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 WO disclosed
WO-2020030754-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 WO disclosed
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US disclosed
US-10519158-B2 Inhibiting the transient receptor potential A1 ion channel ELI LILLY AND COMPANY (US) 2019-12-31 US disclosed
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 US disclosed
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 US disclosed
WO-2000009130-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
WO-1999062883-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed
EP-0958282-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES Pfizer Products Inc. (US) 1999-11-24 EP disclosed
EP-0946512-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1999-10-06 EP disclosed
CN-1215391-A 6-phenylpyridyl-2-amine derivatives PFIZER (US) 1999-04-28 CN disclosed
WO-1999010339-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-04 WO disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1998034919-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PRODUCTS INC. (US) 1998-08-13 WO disclosed
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 WO disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 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 (2 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-10519158-B2 Inhibiting the transient receptor potential A1 ion channel TRPV1, TRPA1, TRPV2 GRIN2D 382/4885GRIN3B 242/4885GRIN1 89/4885
US-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 GRIN2D 382/4885GRIN3B 242/4885GRIN1 89/4885

“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.