SCHEMBL4775573

SCHEMBL4775573

CCN1CCN(c2nc(COc3ccc(OC)cc3)cc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NTSR1 P30989 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 3/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
SIRT1 Q96EB6 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
METAP1 P53582 1/20 0.41
GBA1 P04062 1/20 0.40
POLB P06746 1/20 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 SCHEMBL4769084 0.99 PRMT5 (0.45) PRMT5SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4763521 0.86 SMPD1 (0.43) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL4765648 0.84 MAPT (0.43) SMN1; SMN2KDM4EALDH1A1KMT2ACYP1A2
SCHEMBL4763566 0.82 HRH3 (0.48) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4770729 0.81 HRH3 (0.47) SMN1; SMN2ALDH1A1KMT2AL3MBTL1CYP1A2
SCHEMBL4764720 0.81 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL6289289 0.80 KMT2A (0.41) SMN1; SMN2KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL4774077 0.80 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AL3MBTL1CYP1A2CYP2C19
SCHEMBL6724748 0.79 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KMT2AL3MBTL1CYP1A2
Oxalic Acid SCHEMBL4769392 0.79 MCHR1 (0.47) SMN1; SMN2KDM4EALDH1A1KMT2ACYP1A2

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 PRMT5 2420/4885SMN1; SMN2 27/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PRMT5 738/4885SMN1; SMN2 37/4885KDM4E 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.