SCHEMBL4771938

SCHEMBL4771938

CCN1CCN(c2nc(-c3cncc(CCCOC)c3)cc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 4/20 0.39
CNR1 P21554 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PKN2 Q16513 1/20 0.39
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
Oxalic Acid SCHEMBL4774444 0.95 TSHR (0.41) TSHRSMN1; SMN2LMNAMAPTCNR2
SCHEMBL14103355 0.90 CYP1A2 (0.40) TSHRLMNAROCK2ROCK1PKN2
SCHEMBL4764498 0.88 SMN1; SMN2 (0.41) TSHRSMN1; SMN2LMNAMAPTCNR2
Hydrochloric Acid SCHEMBL4774319 0.87 SMN1; SMN2 (0.41) TSHRSMN1; SMN2LMNAMAPTCNR2
SCHEMBL4771043 0.84 SMN1; SMN2 (0.41) TSHRSMN1; SMN2LMNAMAPTCNR2
SCHEMBL4770628 0.83 ROCK2 (0.41) TSHRSMN1; SMN2LMNAMAPTROCK2
SCHEMBL4771231 0.83 GRM5 (0.39) TSHRSMN1; SMN2LMNAMAPTCNR2
SCHEMBL14102953 0.80 ROCK2 (0.40) TSHRSMN1; SMN2LMNAMAPTROCK2
SCHEMBL4773966 0.80 TSHR (0.46) TSHRSMN1; SMN2LMNAMAPTROCK2
Oxalic Acid SCHEMBL4775546 0.79 KDM4E (0.40) TSHRSMN1; SMN2LMNAMAPTCNR2

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.