SCHEMBL4770229

SCHEMBL4770229

CCC1CCN(c2nc(Br)cc3ccsc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PIK3CA P42336 3/20 0.36
PIK3R1 P27986 1/20 0.36
PRKCI P41743 1/20 0.35
CHRM3 P20309 1/20 0.34
STAT3 P40763 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32

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
SCHEMBL4765885 0.82 RXFP1 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17822189 0.77 PIK3CA (0.56) PIK3CAPIK3R1NPC1MAPTSMN1; SMN2
SCHEMBL4772909 0.63 CYP2A6 (0.31)
SCHEMBL29495202 0.63 CYP2A6 (0.31)
SCHEMBL4769237 0.62 SMN1; SMN2 (0.48) NPC1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL3677985 0.62 HDAC2 (0.44) HTTSMN1; SMN2L3MBTL1MALT1RXFP1
SCHEMBL5803729 0.62 CHKA (0.53) CDK1
SCHEMBL13034710 0.61 ROCK2 (0.41) MAPTKDM4EHDAC2
Ammonia Solution, Strong SCHEMBL5844271 0.60 CHKA (0.52) CDK1
SCHEMBL25510489 0.60 CHRM3 (0.40) PDE4APDE4BPDE4CPDE4DPIK3CA

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 PDE4A 1074/4885PDE4B 776/4885PDE4C 2163/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PDE4A 1066/4885PDE4B 808/4885PDE4C 1922/4885

“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.