SCHEMBL4766637

SCHEMBL4766637

CCN1CCN(c2nc(CCc3cccc(OCCO)c3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRMT5 O14744 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
SCHEMBL4774231 0.90 PRMT5 (0.42) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4772897 0.86 CYP2D6 (0.44) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4772191 0.85 CYP2D6 (0.43) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4765848 0.83 KMT2A (0.41) KCNH2SMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL14102662 0.82 KMT2A (0.44) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4769209 0.82 KMT2A (0.38) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4766547 0.81 KMT2A (0.43) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4086176 0.80 RAB9A (0.46) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4775551 0.79 RAB9A (0.45) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4765271 0.79 KMT2A (0.40) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1

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 KCNH2 114/4885SMN1; SMN2 27/4885CYP1A2 2126/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KCNH2 42/4885SMN1; SMN2 37/4885CYP1A2 1489/4885

“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.