SCHEMBL4769934

SCHEMBL4769934

CCN1CCN(c2nc(-c3ccccc3CN3CCSCC3)cc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GBA1 P04062 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PIK3CD O00329 1/20 0.39
AURKA O14965 1/20 0.39
CYP2A13 Q16696 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 SCHEMBL4766871 0.99 KMT2A (0.44) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4765992 0.88 PIK3CD (0.51) KMT2AMEN1CYP2D6SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL4766948 0.87 PIK3CD (0.50) KMT2AMEN1CYP2D6SMN1; SMN2CYP1A2
SCHEMBL4769939 0.83 LMNA (0.45) KMT2AMEN1CYP2D6CNR1CNR2
Hydrochloric Acid SCHEMBL4766893 0.82 LMNA (0.44) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4768458 0.80 GBA1 (0.46) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL7778369 0.80 KMT2A (0.43) KMT2AMEN1CYP2D6CNR1CNR2
SCHEMBL4766228 0.80 KMT2A (0.49) KMT2AMEN1CYP2D6CNR1CNR2
Hydrochloric Acid SCHEMBL4766099 0.79 GBA1 (0.45) KMT2AMEN1CYP2D6CNR1CNR2
Hydrochloric Acid SCHEMBL7775759 0.79 KMT2A (0.45) KMT2AMEN1CYP2D6CNR1CNR2

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 8 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-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 KMT2A 1240/4885MEN1 786/4885CYP2D6 3573/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885MEN1 1171/4885CYP2D6 2558/4885

“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.