SCHEMBL4774445

SCHEMBL4774445

CCN1CCN(c2nc(-c3ccc(C(F)CCO)cc3)cc3ccsc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.35
RXFP1 Q9HBX9 3/20 0.34
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GBA1 P04062 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 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
Hydrochloric Acid SCHEMBL4771402 0.99 SYK (0.35) SYKRXFP1ROCK2ROCK1POLB
SCHEMBL4769977 0.84 RXFP1 (0.35) SYKRXFP1POLBHPGDMEN1
Hydrochloric Acid SCHEMBL4770364 0.83 RXFP1 (0.35) SYKRXFP1POLBHPGDMEN1
SCHEMBL4767081 0.83 PDE4A (0.37) SYKRXFP1POLBHPGDKDM4E
Hydrochloric Acid SCHEMBL4771343 0.83 PDE4A (0.36) SYKRXFP1POLBHPGDMEN1
SCHEMBL4773526 0.82 FGFR1 (0.41) SYKRXFP1POLBHPGDALDH1A1
SCHEMBL4763637 0.82 SMN1; SMN2 (0.41) ROCK2ROCK1POLBHPGDKDM4E
SCHEMBL4764010 0.82 RXFP1 (0.35) SYKRXFP1ROCK2ROCK1POLB
SCHEMBL4765464 0.81 SYK (0.39) SYKRXFP1ROCK2ROCK1POLB
SCHEMBL4772896 0.81 SYK (0.40) SYKROCK2ROCK1HPGDKDM4E

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 SYK 3149/4885RXFP1 634/4885ROCK2 3313/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885RXFP1 82/4885ROCK2 1825/4885

“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.