SCHEMBL4765771

SCHEMBL4765771

CCN1CCN(c2nc(-c3ccc(OCCO)cc3)cc3cc(F)ccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
HRH4 Q9H3N8 1/20 0.44
CXCR1 P25024 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
SCN9A Q15858 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.40
SYK P43405 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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 SCHEMBL4767942 0.99 HTT (0.44) HTTHRH4CXCR1TRPV4KDM4E
SCHEMBL4763772 0.92 HTT (0.47) HTTHRH4CXCR1TRPV4KDM4E
Hydrochloric Acid SCHEMBL4768658 0.91 HTT (0.47) HTTHRH4CXCR1TRPV4KDM4E
SCHEMBL4765832 0.88 TRPV4 (0.52) HTTHRH4TRPV4KDM4EALDH1A1
SCHEMBL4086176 0.87 RAB9A (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4764497 0.87 TRPV4 (0.52) HTTHRH4TRPV4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4775551 0.86 RAB9A (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4769357 0.85 PRMT5 (0.47) HTTHRH4KDM4EALDH1A1HPGD
SCHEMBL4772647 0.83 SYK (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4768918 0.83 RAB9A (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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
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 HTT 2446/4885HRH4 205/4885CXCR1 3292/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTT 2151/4885HRH4 213/4885CXCR1 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.