SCHEMBL4771750

SCHEMBL4771750

CCN1CCN(c2nc(-c3ccc(N4CCN(C(C)=O)CC4)cc3)cc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
KDM1A O60341 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SMO Q99835 1/20 0.44
ACACB O00763 1/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 1/20 0.43
ABCB1 P08183 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
CNR2 P34972 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42

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 SCHEMBL6288907 0.99 GFER (0.45) GFERKDM1AADRA2AADRA2BADRA2C
SCHEMBL4766291 0.87 CKS1B (0.46) SMOUSP2TSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4766679 0.86 CKS1B (0.45) SMOUSP2TSHRKDM4EALDH1A1
SCHEMBL4773119 0.85 AHR (0.54) KDM1AADRA2AADRA2BADRA2CLMNA
SCHEMBL4773460 0.85 SMN1; SMN2 (0.47) TSHRLMNAKDM4EALDH1A1CNR2
SCHEMBL6289327 0.84 SYK (0.46) KDM1AADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL4770492 0.84 MAPT (0.55) KDM1AADRA2AADRA2BADRA2CTSHR
Hydrochloric Acid SCHEMBL4766788 0.84 SYK (0.45) KDM1AADRA2AADRA2BADRA2CTSHR
SCHEMBL4763754 0.83 SMN1; SMN2 (0.43) TSHRLMNAKDM4EALDH1A1CNR2
SCHEMBL4764112 0.82 SMN1; SMN2 (0.47) TSHRLMNAALDH1A1CNR2MAPT

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-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 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 GFER 3114/4885KDM1A 527/4885ADRA2A 415/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GFER 2888/4885KDM1A 340/4885ADRA2A 190/4885

“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.