SCHEMBL4772647

SCHEMBL4772647

CCN1CCN(c2nc(-c3ccc(OCCO)cc3)cc3cscc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
PRMT5 O14744 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 2/20 0.38
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 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 SCHEMBL4842074 0.95 ALDH1A1 (0.43) SYKKMT2AKDM4EALDH1A1HPGD
SCHEMBL4763526 0.89 PRMT5 (0.39) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4774318 0.87 HRH3 (0.49) KMT2AALDH1A1HPGDHSD17B10MAPT
SCHEMBL4772618 0.86 MEN1 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4086176 0.85 RAB9A (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4764656 0.85 FGFR1 (0.43) KMT2AALDH1A1HPGDMAPTMEN1
Hydrochloric Acid SCHEMBL4775551 0.84 RAB9A (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
Oxalic Acid SCHEMBL4791621 0.84 HRH3 (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4765771 0.83 HTT (0.45) SYKKMT2AKDM4EALDH1A1HPGD
SCHEMBL4770666 0.83 HPGD (0.40) SYKKMT2AKDM4EALDH1A1HPGD

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-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 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 3149/4885KMT2A 1240/4885KDM4E 1050/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885KMT2A 1300/4885KDM4E 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.