SCHEMBL4766526

SCHEMBL4766526

CCN1CCN(c2nc(Br)cc3ccoc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2D6 P10635 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 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
SCHEMBL14733337 0.85 ALOX15 (0.41) HTTALDH1A1NPSR1CYP2D6HRH4
SCHEMBL31299054 0.77 SCN10A (0.34)
SCHEMBL4772987 0.76 HRH3 (0.46) ALDH1A1HRH4LMNAMAPTTSHR
Hydrochloric Acid SCHEMBL4772826 0.75 HRH3 (0.46) ALDH1A1HRH4LMNAMAPTTSHR
SCHEMBL4763429 0.75 SMN1; SMN2 (0.53) HTTALDH1A1NPSR1CYP2D6CNR1
SCHEMBL31299164 0.73 MBOAT4 (0.33)
SCHEMBL4765885 0.73 RXFP1 (0.46) HTTALDH1A1NPSR1CYP2D6CNR1
SCHEMBL6289256 0.73 MAPK1 (0.41) ALDH1A1CYP2D6LMNAMAPTTSHR
SCHEMBL4766633 0.73 SYK (0.37) HTTALDH1A1CYP2D6CNR1CNR2
Hydrochloric Acid SCHEMBL4768033 0.72 SYK (0.37)

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 HTT 2446/4885ALDH1A1 2989/4885NPSR1 1494/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HTT 2151/4885ALDH1A1 1071/4885NPSR1 1759/4885

“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.