SCHEMBL4764376

SCHEMBL4764376

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.36
SYK P43405 4/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
GBA1 P04062 1/20 0.34
PAX8 Q06710 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 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
Hydrochloric Acid SCHEMBL4764178 0.99 SYK (0.35) RXFP1SYKTSHRMEN1KMT2A
SCHEMBL4770235 0.88 HPGD (0.37) RXFP1TSHRMEN1KMT2AALDH1A1
SCHEMBL4770461 0.86 HRH2 (0.39) RXFP1MEN1KMT2AHRH2HRH1
SCHEMBL14102734 0.86 CHEK1 (0.43) RXFP1SYKHPGDHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4769497 0.86 HRH2 (0.39) RXFP1TSHRHRH2HRH1
SCHEMBL4769788 0.84 PTK2 (0.39) RXFP1SYKHPGDHTTSMN1; SMN2
SCHEMBL4763442 0.83 AURKA (0.40) RXFP1TP53
Hydrochloric Acid SCHEMBL6289277 0.83 PTK2 (0.39) RXFP1SYKHPGDHTTSMN1; SMN2
SCHEMBL4770794 0.83 ALDH1A1 (0.47) RXFP1TSHRKMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL4770089 0.83 ALDH1A1 (0.47) RXFP1TSHRKMT2AALDH1A1HPGD

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 9 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
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 3149/4885TSHR 1481/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RXFP1 82/4885SYK 2669/4885TSHR 962/4885

“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.