SCHEMBL4766633

SCHEMBL4766633

CCN1CCN(c2nc(-c3ccc(CCCO)cc3)cc3ccoc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.37
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CYP2D6 P10635 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 SCHEMBL4768033 0.99 SYK (0.37) SYKHTR1ADRD2ACACBACACA
SCHEMBL4767458 0.86 SYK (0.36) SYKHTR1ADRD2CYP2D6CNR1
SCHEMBL4770738 0.86 MAPK1 (0.42) SYKCYP2D6KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4771070 0.85 MAPK1 (0.42) SYKCYP2D6KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4763399 0.85 SYK (0.35) SYKHTR1ADRD2CYP2D6CNR1
SCHEMBL6289256 0.84 MAPK1 (0.41) SYKCYP2D6KDM4EALDH1A1LMNA
SCHEMBL4770281 0.81 SMN1; SMN2 (0.43) CYP2D6CNR1CNR2ALDH1A1LMNA
SCHEMBL4772987 0.81 HRH3 (0.46) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL7675923 0.80 SMN1; SMN2 (0.42) CYP2D6CNR1CNR2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4769400 0.80 SMN1; SMN2 (0.42) CYP2D6CNR1CNR2KDM4EALDH1A1

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 10 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
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 3149/4885HTR1A 2/4885DRD2 1877/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SYK 2669/4885HTR1A 2/4885DRD2 237/4885

“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.