Sugi Predict

Sugi Predict / Compounds / SCHEMBL4773889

SCHEMBL4773889

SCHEMBL4773889

CCN1CCN(c2nc(-c3ccc(C4(C)OCCO4)cc3)cc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL4764063 0.83 ALDH1A1 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4770792 0.83 PIK3CD (0.42) SMN1; SMN2LMNAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7596009 0.82 ALDH1A1 (0.42) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4773119 0.82 AHR (0.54) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4773872 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL6292078 0.81 KMT2A (0.59) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4773428 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL4764112 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4770492 0.81 MAPT (0.55) SMN1; SMN2LMNAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4769154 0.80 SMN1; SMN2 (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.