SCHEMBL6289215

SCHEMBL6289215

CCOC(=O)CCc1cccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SYK P43405 5/20 0.41
BACE1 P56817 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
WNK1 Q9H4A3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6288623 0.91 HRH3 (0.41) CYP2D6CNR1CNR2BACE1MEN1
SCHEMBL4767031 0.85 FAAH (0.43) CYP2D6CNR1CNR2BACE1MEN1
SCHEMBL4767455 0.83 CYP4F2 (0.44) CYP2D6CNR1CNR2MEN1KMT2A
SCHEMBL4774490 0.83 CYP2D6 (0.44) CYP2D6CNR1CNR2MEN1KMT2A
SCHEMBL7590838 0.80 CYP2D6 (0.39) CYP2D6CNR1CNR2MEN1KMT2A
SCHEMBL4763350 0.80 METAP1 (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4763825 0.79 SMN1; SMN2 (0.41) CYP2D6CNR1CNR2MEN1KMT2A
SCHEMBL4766641 0.78 KDM4E (0.40) CYP2D6CNR1CNR2BACE1MEN1
SCHEMBL4772789 0.78 METAP1 (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4775307 0.78 KDM4E (0.45) MEN1KMT2AALDH1A1LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2D6 3573/4885CNR1 475/4885CNR2 220/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYP2D6 2558/4885CNR1 367/4885CNR2 235/4885

“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.