SCHEMBL4772707

SCHEMBL4772707

CCN1CCN(c2nc(C=Cc3ccc(N4CCOCC4)nc3)cc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL4772695 1.00 PDE10A (0.40) PDE10AMAPTSMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL4763355 0.99 PDE10A (0.40) PDE10AMAPTSMN1; SMN2KDM4EKMT2A
Hydrochloric Acid SCHEMBL4763354 0.99 PDE10A (0.40) PDE10AMAPTSMN1; SMN2KDM4EKMT2A
Oxalic Acid SCHEMBL4766927 0.95 KDM4E (0.44) PDE10AMAPTSMN1; SMN2KDM4EKMT2A
Oxalic Acid SCHEMBL4766934 0.95 KDM4E (0.44) PDE10AMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL4764311 0.88 MAPT (0.52) MAPTSMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL4764312 0.88 MAPT (0.52) MAPTSMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL4768979 0.87 PIK3CB (0.40) PDE10AMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL4769356 0.87 HRH3 (0.41) MAPTSMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL4769345 0.87 HRH3 (0.41) MAPTSMN1; SMN2KDM4EKMT2AMEN1

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 PDE10A 563/4885MAPT 1892/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PDE10A 779/4885MAPT 3756/4885SMN1; SMN2 37/4885

“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.