SCHEMBL4772279

SCHEMBL4772279

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.46
SYK P43405 5/20 0.41
KDM2B Q8NHM5 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35

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
Hydrochloric Acid SCHEMBL4769245 0.99 RXFP1 (0.46) RXFP1SYKKDM2BSMN1; SMN2KDM4E
SCHEMBL4768626 0.93 RXFP1 (0.44) RXFP1SYKKDM2BSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4774026 0.92 RXFP1 (0.44) RXFP1SYKKDM2BSMN1; SMN2KDM4E
SCHEMBL4772505 0.92 RXFP1 (0.46) RXFP1SYKKDM2BSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4774739 0.91 RXFP1 (0.46) RXFP1SYKKDM2BSMN1; SMN2KDM4E
SCHEMBL4773526 0.84 FGFR1 (0.41) RXFP1SYKSMN1; SMN2MEN1KMT2A
SCHEMBL4764263 0.83 HRH3 (0.49) KDM2BSMN1; SMN2KDM4EGAAMEN1
SCHEMBL14102734 0.82 CHEK1 (0.43) RXFP1SYKSMN1; SMN2KDM4EGAA
Hydrochloric Acid SCHEMBL4774204 0.82 HRH3 (0.48) KDM2BSMN1; SMN2KDM4EGAAMEN1
SCHEMBL4766183 0.81 RXFP1 (0.41) RXFP1SYKSMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
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 634/4885SYK 3149/4885KDM2B 501/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RXFP1 82/4885SYK 2669/4885KDM2B 436/4885

“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.