SCHEMBL4769271

SCHEMBL4769271

CCN1CCN(c2nc(-c3ccc(N4CCOCC4)cn3)cc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
EGFR P00533 1/20 0.41
SYK P43405 1/20 0.41
CHRNA7 P36544 1/20 0.41
MTOR P42345 1/20 0.41
AHR P35869 1/20 0.40
MITF O75030 1/20 0.40
RAD52 P43351 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40

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 SCHEMBL4774371 0.99 PIK3CD (0.45) PIK3CDSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4773119 0.87 AHR (0.54) PIK3CDSMN1; SMN2L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4770492 0.86 MAPT (0.55) PIK3CDSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4766794 0.82 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1CYP1A2CYP2C19KMT2A
SCHEMBL4766842 0.81 TNKS (0.45) PIK3CDSMN1; SMN2L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6288885 0.80 TNKS (0.44) PIK3CDSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4769953 0.80 SMN1; SMN2 (0.46) PIK3CDSMN1; SMN2L3MBTL1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4763538 0.79 SMN1; SMN2 (0.45) PIK3CDSMN1; SMN2L3MBTL1CYP1A2CYP2C19
SCHEMBL4763604 0.79 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4763437 0.78 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1CYP1A2CYP2C19KMT2A

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 PIK3CD 3238/4885SMN1; SMN2 27/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PIK3CD 3004/4885SMN1; SMN2 37/4885L3MBTL1 2776/4885

“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.