SCHEMBL4772458

SCHEMBL4772458

CCN1CCN(c2nc(/C=C(\C)c3cccc(N4CCOCC4)c3)cc3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GBA1 P04062 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
PLOD2 O00469 2/20 0.38
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
DRD3 P35462 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
SCHEMBL4772463 1.00 KMO (0.42) KMOACACBACACACHRNA7SMN1; SMN2
Oxalic Acid SCHEMBL4768570 0.96 KMO (0.45) KMOACACBACACACHRNA7SMN1; SMN2
Oxalic Acid SCHEMBL4768566 0.96 KMO (0.45) KMOACACBACACACHRNA7SMN1; SMN2
SCHEMBL4767055 0.92 SMN1; SMN2 (0.40) CHRNA7SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL4767050 0.92 SMN1; SMN2 (0.40) CHRNA7SMN1; SMN2KMT2ACYP1A2CYP2C19
Oxalic Acid SCHEMBL4773310 0.88 SMN1; SMN2 (0.40) CHRNA7SMN1; SMN2KMT2ACYP1A2CYP2C19
Oxalic Acid SCHEMBL4773305 0.88 SMN1; SMN2 (0.40) CHRNA7SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL6292044 0.85 KMT2A (0.49) CHRNA7SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL6292045 0.85 KMT2A (0.49) CHRNA7SMN1; SMN2KMT2ACYP1A2CYP2C19
SCHEMBL4771589 0.82 MAPT (0.43) CHRNA7SMN1; SMN2KMT2ACYP1A2CYP2C19

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-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
EP-0944631-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES BAYER HEALTHCARE AG (DE) 2004-02-18 EP 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 KMO 1041/4885ACACB 4365/4885ACACA 3812/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMO 634/4885ACACB 4615/4885ACACA 4284/4885

“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.