SCHEMBL4775422

SCHEMBL4775422

CCN1CCN(c2nc(-c3ccc(CC(C)(C)C(=O)OC)cc3)cc3ccsc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.37
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 8/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACP1 P24666 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CSF1R P07333 2/20 0.32
FLT3 P36888 2/20 0.32
NTRK1 P04629 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT4 P35916 1/20 0.32
KCNH2 Q12809 1/20 0.32
NTRK3 Q16288 1/20 0.32

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
SCHEMBL4772319 0.84 RXFP1 (0.38) RXFP1KMT2ASMN1; SMN2SYKHPGD
SCHEMBL4775306 0.84 KDM4E (0.41) KMT2ASMN1; SMN2KDM4EALDH1A1TP53
Hydrochloric Acid SCHEMBL4766151 0.83 RXFP1 (0.37) RXFP1KMT2ASMN1; SMN2SYKHPGD
SCHEMBL4769430 0.82 RXFP1 (0.37) RXFP1KMT2ASMN1; SMN2SYKKDM4E
SCHEMBL4766183 0.82 RXFP1 (0.41) RXFP1KMT2ASMN1; SMN2SYKKDM4E
SCHEMBL4771981 0.81 RXFP1 (0.38) RXFP1KMT2ASMN1; SMN2SYKHPGD
SCHEMBL4770508 0.81 RXFP1 (0.40) RXFP1KMT2ASMN1; SMN2SYKHPGD
Hydrochloric Acid SCHEMBL4772176 0.80 RXFP1 (0.37) RXFP1KMT2ASMN1; SMN2SYKALDH1A1
SCHEMBL4764263 0.80 HRH3 (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4773526 0.80 FGFR1 (0.41) RXFP1KMT2ASMN1; SMN2SYKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 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
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 RXFP1 634/4885KMT2A 1240/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RXFP1 82/4885KMT2A 1300/4885SMN1; SMN2 37/4885

“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.