SCHEMBL4766830

SCHEMBL4766830

CCN1CCN(c2nc(-c3ccc(C(=O)N(C)CCOCc4ccccc4)cc3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
PABPC1 P11940 1/20 0.38
CASP1 P29466 1/20 0.38
EIF4H Q15056 1/20 0.38
PRMT5 O14744 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATR Q13535 1/20 0.36
ACP1 P24666 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
SCHEMBL4774643 0.87 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL4774857 0.86 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL4768464 0.84 KDM4E (0.44) PRMT5ALDH1A1TP53HSD17B10
SCHEMBL4765280 0.82 PRMT5 (0.44) MAPTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL4771319 0.81 SMN1; SMN2 (0.41) MAPTSMN1; SMN2LMNAKMT2ATSHR
Hydrochloric Acid SCHEMBL4792641 0.81 SMN1; SMN2 (0.40) MAPTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL4772068 0.80 PRMT5 (0.40) MAPTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL4763853 0.79 PRMT5 (0.40) MAPTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL4773460 0.78 SMN1; SMN2 (0.47) MAPTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL4765567 0.78 PRMT5 (0.43) MAPTSMN1; SMN2LMNAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885SMN1; SMN2 27/4885LMNA 1057/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885SMN1; SMN2 37/4885LMNA 1917/4885

“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.