SCHEMBL4771224

SCHEMBL4771224

CCN1CCN(c2nc(-c3ccc(OCCCO)cc3)cc3sccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
MAPK1 P28482 1/20 0.39
CXCR1 P25024 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
XDH P47989 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38

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 SCHEMBL4770140 0.99 RAB9A (0.39) RAB9AMAPK1CXCR1HPGDMAPT
SCHEMBL4770666 0.96 HPGD (0.40) RAB9AMAPK1CXCR1HPGDMAPT
Hydrochloric Acid SCHEMBL4792945 0.95 HPGD (0.39) RAB9AMAPK1CXCR1HPGDMAPT
SCHEMBL4768791 0.89 CSNK2A2 (0.37) RAB9AMAPK1CXCR1HPGDMAPT
SCHEMBL6288884 0.89 RAB9A (0.45) RAB9ACXCR1HPGDMAPTTSHR
SCHEMBL4771273 0.87 RAB9A (0.46) RAB9AMAPK1CXCR1HPGDMAPT
SCHEMBL4772743 0.86 CSNK2A2 (0.39) HPGDMAPTLMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4794535 0.86 RAB9A (0.45) RAB9AMAPK1CXCR1HPGDMAPT
SCHEMBL4770376 0.86 HRH3 (0.48) MAPK1HPGDMAPTLMNAGAA
SCHEMBL4774215 0.86 CYP2D6 (0.41) HPGDMAPTLMNAHTTSMN1; SMN2

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 RAB9A 2421/4885MAPK1 1599/4885CXCR1 3292/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RAB9A 2304/4885MAPK1 1787/4885CXCR1 2136/4885

“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.