SCHEMBL4765832

SCHEMBL4765832

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
HRH4 Q9H3N8 2/20 0.47
HTT P42858 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ACP1 P24666 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
SCN9A Q15858 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.40
PLA2G2A P14555 1/20 0.40

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 SCHEMBL4764497 0.99 TRPV4 (0.52) TRPV4L3MBTL1HRH4HTTHRH3
SCHEMBL4766498 0.91 L3MBTL1 (0.50) TRPV4L3MBTL1HRH4HTTHRH3
SCHEMBL4767872 0.91 HRH3 (0.49) TRPV4L3MBTL1HRH4HRH3ACP1
Hydrochloric Acid SCHEMBL4772411 0.90 TRPV4 (0.49) TRPV4L3MBTL1HRH4HTTHRH3
Hydrochloric Acid SCHEMBL4770506 0.90 HRH3 (0.48) TRPV4L3MBTL1HRH4HRH3ACP1
SCHEMBL4772528 0.88 HRH3 (0.46) TRPV4L3MBTL1HRH4HRH3ACP1
SCHEMBL4765771 0.88 HTT (0.45) TRPV4L3MBTL1HRH4HTTHRH3
Hydrochloric Acid SCHEMBL4764417 0.87 HRH3 (0.46) TRPV4L3MBTL1HRH4HRH3ACP1
Hydrochloric Acid SCHEMBL4767942 0.87 HTT (0.44) TRPV4L3MBTL1HRH4HTTHRH3
SCHEMBL4763566 0.85 HRH3 (0.48) L3MBTL1HRH3ACP1ALDH1A1HPGD

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-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 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 TRPV4 95/4885L3MBTL1 4124/4885HRH4 205/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TRPV4 399/4885L3MBTL1 2776/4885HRH4 213/4885

“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.