SCHEMBL4774313

SCHEMBL4774313

CCN1CCN(c2nc(C(O)c3cccnc3)cc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX12 P18054 1/20 0.43
ESR2 Q92731 1/20 0.43
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.39
GBA1 P04062 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
PAX8 Q06710 1/20 0.39
CYP2D6 P10635 3/20 0.38
CNR1 P21554 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
SCHEMBL14102717 0.89 SMN1; SMN2 (0.46) TSHRSMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL14103475 0.85 TSHR (0.49) TSHRSMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL4772543 0.81 MEN1 (0.46) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL4769437 0.78 MEN1 (0.44) TSHRSMN1; SMN2LMNAMAPTHTT
Oxalic Acid SCHEMBL4773633 0.77 ALDH1A1 (0.46) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
Oxalic Acid SCHEMBL4763602 0.74 ALDH1A1 (0.44) SMN1; SMN2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL4773957 0.74 SMN1; SMN2 (0.45) TSHRSMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL4773505 0.72 SMN1; SMN2 (0.43) TSHRSMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL4769665 0.72 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTL3MBTL1HTT
Hydrochloric Acid SCHEMBL4763781 0.72 KMT2A (0.43) TSHRSMN1; SMN2LMNAMAPTL3MBTL1

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 TSHR 1481/4885SMN1; SMN2 27/4885LMNA 1057/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TSHR 962/4885SMN1; SMN2 37/4885LMNA 1917/4885

“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.