SCHEMBL4767455

SCHEMBL4767455

CCOC(=O)CCc1ccccc1-c1cc2ccccc2c(N2CCN(CC)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
CDYL Q9Y232 1/20 0.37
CYP2D6 P10635 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL6288623 0.85 HRH3 (0.41) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL4772789 0.85 METAP1 (0.42) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL6289215 0.83 CYP2D6 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL7778369 0.82 KMT2A (0.43) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4767031 0.81 FAAH (0.43) ALDH1A1KMT2AMEN1LMNACYP2D6
Hydrochloric Acid SCHEMBL7775759 0.81 KMT2A (0.45) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4766228 0.78 KMT2A (0.49) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4768653 0.78 CYP1A2 (0.48) ALDH1A1GAAKMT2AMEN1CYP1A2
SCHEMBL4763350 0.77 METAP1 (0.49) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
Oxalic Acid SCHEMBL6726418 0.77 ALDH1A1 (0.50) ALDH1A1GAAKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP4F2 2166/4885CYP4A11 1191/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CYP4F2 2733/4885CYP4A11 2992/4885ALDH1A1 1071/4885

“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.