SCHEMBL4768667

SCHEMBL4768667

CCN1CCN(c2nc(-c3ccc(C(C)O)cc3)cc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PKN2 Q16513 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.41
GBA1 P04062 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40

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 SCHEMBL4773667 0.99 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL6726253 0.91 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4765531 0.90 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4768599 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4768662 0.89 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4764481 0.88 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4768780 0.88 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4772807 0.87 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4772828 0.87 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4770374 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1

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 12 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
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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 SMN1; SMN2 27/4885LMNA 1057/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885LMNA 1917/4885MAPT 3756/4885

“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.