SCHEMBL4769699

SCHEMBL4769699

CCN1CCN(c2nc(-c3cnc(CCCOC)s3)cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 3/20 0.41
GBA1 P04062 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIT P10721 2/20 0.37
FLT3 P36888 2/20 0.37
USP2 O75604 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 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
Oxalic Acid SCHEMBL4766439 0.95 SMN1; SMN2 (0.40) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4763812 0.89 SMN1; SMN2 (0.39) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4773581 0.89 SMN1; SMN2 (0.42) SMN1; SMN2POLBGBA1HPGDHTT
Oxalic Acid SCHEMBL4763805 0.85 SMN1; SMN2 (0.41) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4766823 0.84 SMN1; SMN2 (0.45) SMN1; SMN2POLBGBA1HPGDHTT
Hydrochloric Acid SCHEMBL4770749 0.84 SMN1; SMN2 (0.44) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4764498 0.82 SMN1; SMN2 (0.41) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4771043 0.81 SMN1; SMN2 (0.41) SMN1; SMN2POLBGBA1HPGDHTT
Hydrochloric Acid SCHEMBL4774319 0.81 SMN1; SMN2 (0.41) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4770628 0.80 ROCK2 (0.41) SMN1; SMN2POLBCYP2D6CYP1A2CYP2C19

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
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 SMN1; SMN2 27/4885POLB 3161/4885GBA1 4305/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885POLB 3192/4885GBA1 4235/4885

“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.