SCHEMBL4770609

SCHEMBL4770609

CCN1CCN(c2nc(-c3ccccc3OCCO)cc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 5/20 0.47
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 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 SCHEMBL4766222 0.99 KMT2A (0.47) KMT2AALDH1A1KDM4EMEN1TDP1
Oxalic Acid SCHEMBL6726418 0.87 ALDH1A1 (0.50) KMT2AALDH1A1KDM4EMEN1TDP1
SCHEMBL14102905 0.87 ROCK2 (0.43) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL4770966 0.86 LMNA (0.42) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL4768653 0.86 CYP1A2 (0.48) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4823958 0.86 ROCK2 (0.42) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL4767415 0.85 KMT2A (0.42) KMT2AKDM4EMEN1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL6292095 0.85 KMT2A (0.48) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL4770422 0.84 KMT2A (0.40) KMT2AALDH1A1KDM4EMEN1TDP1
SCHEMBL4086176 0.84 RAB9A (0.46) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2

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
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 KMT2A 1240/4885ALDH1A1 2989/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885ALDH1A1 1071/4885KDM4E 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.