SCHEMBL4771384

SCHEMBL4771384

CCN1CCN(c2nc(C(=O)Nc3ccccc3)cc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
RAD52 P43351 1/20 0.51
CHRM1 P11229 2/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
NR4A1 P22736 1/20 0.45
ESR2 Q92731 1/20 0.45
KMT2A Q03164 3/20 0.45

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 SCHEMBL4774807 0.99 PTPN11 (0.52) PTPN11RAD52CHRM1PKMNPC1
SCHEMBL4792572 0.80 CHRM1 (0.53) CHRM1TP53POLBMAPTSMN1; SMN2
Oxalic Acid SCHEMBL4774227 0.78 SMN1; SMN2 (0.42) POLBMAPTSMN1; SMN2ALDH1A1KDM4E
Oxalic Acid SCHEMBL4774230 0.78 SMN1; SMN2 (0.42) POLBMAPTSMN1; SMN2ALDH1A1KDM4E
Oxalic Acid SCHEMBL4774232 0.78 SMN1; SMN2 (0.42) POLBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4763669 0.77 MOK (0.54) PKMNPC1RAB9AMAPTALDH1A1
SCHEMBL4763595 0.76 SMN1; SMN2 (0.45) POLBMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4763599 0.76 SMN1; SMN2 (0.45) POLBMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4763608 0.76 SMN1; SMN2 (0.45) POLBMAPTSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4774705 0.76 MOK (0.53) PKMNPC1RAB9AMAPTALDH1A1

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 9 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
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 PTPN11 3604/4885RAD52 2723/4885CHRM1 44/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PTPN11 4066/4885RAD52 1349/4885CHRM1 57/4885

“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.