SCHEMBL4772055

SCHEMBL4772055

CCN1CCN(c2nc(-c3ccc(C(=O)NC4CCCC4)cc3)cc3ccsc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
ACVR1 Q04771 1/20 0.42
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.39
ACSS2 Q9NR19 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 1/20 0.38

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 SCHEMBL4793876 0.99 HPGDS (0.43) HPGDSLMNARXFP1BMPR1BBMPR1A
SCHEMBL14102709 0.99 LMNA (0.44) HPGDSLMNARXFP1BMPR1BBMPR1A
SCHEMBL4769788 0.87 PTK2 (0.39) RXFP1POLBMAPTNPC1RAB9A
SCHEMBL4763700 0.86 KDM2B (0.39) LMNARXFP1MAPTUSP2ALDH1A1
SCHEMBL4766720 0.86 PRKD1 (0.41) LMNATP53POLBMAPTKDM4E
Hydrochloric Acid SCHEMBL6289277 0.86 PTK2 (0.39) RXFP1POLBMAPTNPC1RAB9A
SCHEMBL4763442 0.86 AURKA (0.40) RXFP1TGFBR1TP53
Hydrochloric Acid SCHEMBL4763531 0.85 PRKD1 (0.41) LMNATP53POLBMAPTKDM4E
Hydrochloric Acid SCHEMBL4774011 0.85 AURKA (0.40) RXFP1TGFBR1TP53
SCHEMBL6289169 0.85 PIK3CA (0.41) LMNATP53POLBMAPTKDM4E

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 HPGDS 3185/4885LMNA 1057/4885RXFP1 634/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 HPGDS 2253/4885LMNA 1917/4885RXFP1 82/4885

“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.