SCHEMBL4772928

SCHEMBL4772928

CCN1CCN(c2nc(-c3ccc(C(OC(C)=O)C4CCCCC4)cc3)cc3ccsc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
APP P05067 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SNCA P37840 1/20 0.35
CSNK1A1 P48729 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 4/20 0.35
PRKD1 Q15139 3/20 0.34
SYK P43405 4/20 0.33
RXFP1 Q9HBX9 3/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL4772285 0.85 PRKD1 (0.37) ALDH1A1USP2APPCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6289226 0.85 PRKD1 (0.36) ALDH1A1USP2APPCYP3A4CYP2D6
SCHEMBL4765966 0.84 STAT3 (0.37) PRKD1SYKRXFP1ROCK2ROCK1
Hydrochloric Acid SCHEMBL4763623 0.84 STAT3 (0.37) PRKD1SYKRXFP1ROCK2ROCK1
SCHEMBL8124249 0.82 SYK (0.33) ALDH1A1USP2CYP3A4CYP2D6MAPT
SCHEMBL14102709 0.80 LMNA (0.44) ALDH1A1USP2MAPTTSHRCYP2C19
SCHEMBL4763700 0.79 KDM2B (0.39) ALDH1A1USP2APPCYP3A4CYP2D6
SCHEMBL4763793 0.79 ALDH1A1 (0.37) ALDH1A1USP2MAPTHSD17B10SYK
SCHEMBL4763795 0.79 ALDH1A1 (0.37) ALDH1A1USP2MAPTHSD17B10SYK
SCHEMBL4772055 0.79 HPGDS (0.44) ALDH1A1USP2MAPTTSHRCYP2C19

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 ALDH1A1 2989/4885USP2 3459/4885APP 4112/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885USP2 2242/4885APP 4602/4885

“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.