SCHEMBL4772285

SCHEMBL4772285

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 3/20 0.37
STAT3 P40763 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
RPS6KB1 P23443 3/20 0.34
SYK P43405 4/20 0.34
RXFP1 Q9HBX9 3/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SNCA P37840 1/20 0.33
CSNK1A1 P48729 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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 SCHEMBL6289226 0.99 PRKD1 (0.36) PRKD1STAT3HRH3RPS6KB1SYK
SCHEMBL4765966 0.99 STAT3 (0.37) PRKD1STAT3HRH3RPS6KB1SYK
Hydrochloric Acid SCHEMBL4763623 0.98 STAT3 (0.37) PRKD1STAT3HRH3RPS6KB1SYK
SCHEMBL4772928 0.85 ALDH1A1 (0.35) PRKD1SYKRXFP1USP2ALDH1A1
SCHEMBL4769977 0.85 RXFP1 (0.35) SYKRXFP1CYP2D6MAPT
SCHEMBL4767081 0.84 PDE4A (0.37) SYKRXFP1CYP2D6CYP2C9
SCHEMBL4764010 0.84 RXFP1 (0.35) SYKRXFP1CYP2D6MAPT
Hydrochloric Acid SCHEMBL4770364 0.84 RXFP1 (0.35) SYKRXFP1CYP2D6MAPT
Hydrochloric Acid SCHEMBL4771343 0.83 PDE4A (0.36) SYKRXFP1CYP2D6
SCHEMBL4769243 0.83 PRKD1 (0.44) PRKD1HRH3USP2ALDH1A1APP

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 PRKD1 3692/4885STAT3 2669/4885HRH3 191/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRKD1 2371/4885STAT3 3648/4885HRH3 110/4885

“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.