SCHEMBL4768596

SCHEMBL4768596

CCN1CCCN(c2nc(-c3ccc(OC)cc3)cc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACP1 P24666 8/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SIRT1 Q96EB6 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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 SCHEMBL6288704 0.99 KMT2A (0.45) SMN1; SMN2MEN1PKMKMT2ANPSR1
Hydrochloric Acid SCHEMBL4766731 0.99 KMT2A (0.45) SMN1; SMN2MEN1PKMKMT2ANPSR1
SCHEMBL4763566 0.96 HRH3 (0.48) SMN1; SMN2MEN1KMT2AACP1HRH3
Hydrochloric Acid SCHEMBL4770729 0.95 HRH3 (0.47) SMN1; SMN2MEN1KMT2AACP1HRH3
SCHEMBL4766480 0.87 DRD2 (0.51) ACP1SIRT1LMNAMAPT
SCHEMBL4774077 0.87 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ASIRT1LMNA
SCHEMBL6288933 0.86 CYP2D6 (0.49) SMN1; SMN2MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL4766737 0.86 DRD2 (0.50) ACP1SIRT1LMNAMAPT
SCHEMBL4772803 0.86 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL4768944 0.86 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ASIRT1LMNA

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 27/4885MEN1 786/4885PKM 1506/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885MEN1 1171/4885PKM 2883/4885

“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.