SCHEMBL6288623

SCHEMBL6288623

CCOC(=O)CCc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
BACE1 P56817 1/20 0.39
POLB P06746 1/20 0.39
ADRB2 P07550 1/20 0.39
CYP2D6 P10635 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
AHR P35869 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4767031 0.94 FAAH (0.43) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL6289215 0.91 CYP2D6 (0.42) MEN1KMT2AALDH1A1BACE1CYP2D6
SCHEMBL4763825 0.88 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4763350 0.85 METAP1 (0.49) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL4767455 0.85 CYP4F2 (0.44) MEN1KMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL4773924 0.84 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL4766641 0.83 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL4770817 0.83 HRH3 (0.40) HRH3CYP4F2CYP4A11KDM4EMAPT
Hydrochloric Acid SCHEMBL4773289 0.83 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL6289209 0.82 RAB9A (0.43) MEN1KMT2AALDH1A1KDM4ETP53

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 HRH3 191/4885MEN1 786/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HRH3 110/4885MEN1 1171/4885KMT2A 1300/4885

“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.