SCHEMBL4764340

SCHEMBL4764340

CCN1CCN(c2nc(-c3ccc(O)cc3)cc3cccc(F)c23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
SYK P43405 2/20 0.39
KDM2B Q8NHM5 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CYP2D6 P10635 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
DUSP3 P51452 1/20 0.35

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
SCHEMBL4766483 0.87 HRH3 (0.45) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4773723 0.86 HRH3 (0.44) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL4773481 0.86 SYK (0.42) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4764014 0.85 SYK (0.42) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL4764112 0.81 SMN1; SMN2 (0.47) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL4770998 0.81 ALDH1A1 (0.37) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL4764656 0.75 FGFR1 (0.43) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL4773526 0.75 FGFR1 (0.41) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL4764250 0.75 HRH3 (0.46) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL4770719 0.75 HRH3 (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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 2989/4885HTT 2446/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885HTT 2151/4885KDM4E 1058/4885

“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.