SCHEMBL4764142

SCHEMBL4764142

CCN1CCN(c2nc(-c3ccc(OC)cc3)cc3ncccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
METAP1 P53582 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.47
SIRT1 Q96EB6 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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 SCHEMBL4768174 0.99 SYK (0.56) SYKSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL4763566 0.84 HRH3 (0.48) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
SCHEMBL4775428 0.84 PIK3CA (0.47) SYKSMN1; SMN2CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL4770729 0.84 HRH3 (0.47) SMN1; SMN2CYP1A2CYP2C19KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4765800 0.83 PIK3CA (0.47) SYKSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4769124 0.82 CYP2D6 (0.46) SMN1; SMN2KMT2ALMNAMAPTPKM
SCHEMBL4767872 0.81 HRH3 (0.49) KMT2AL3MBTL1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL4766457 0.81 CYP2D6 (0.45) SMN1; SMN2KMT2ALMNAMAPTPKM
SCHEMBL4768596 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMT2ALMNAMAPTSIRT1
Hydrochloric Acid SCHEMBL4770506 0.80 HRH3 (0.48) KMT2AL3MBTL1NPC1RAB9ALMNA

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 9 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
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 SYK 3149/4885SMN1; SMN2 27/4885CYP1A2 2126/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885SMN1; SMN2 37/4885CYP1A2 1489/4885

“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.