SCHEMBL4769099

SCHEMBL4769099

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 3/20 0.48
CYP2D6 P10635 3/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
PKN2 Q16513 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
L3MBTL1 Q9Y468 2/20 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 SCHEMBL4793805 0.99 SMN1; SMN2 (0.47) SMN1; SMN2MAPTCYP2D6TSHRKDM4E
SCHEMBL4773872 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTCYP2D6TSHRKDM4E
SCHEMBL4764112 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTCYP2D6TSHRCYP3A4
Hydrochloric Acid SCHEMBL6292078 0.86 KMT2A (0.59) SMN1; SMN2MAPTCYP2D6TSHRKDM4E
SCHEMBL4773428 0.86 SMN1; SMN2 (0.47) SMN1; SMN2MAPTCYP2D6TSHRTP53
Hydrochloric Acid SCHEMBL4769154 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MAPTCYP2D6TSHRKDM4E
SCHEMBL4765256 0.84 ROCK2 (0.47) SMN1; SMN2MAPTCYP2D6TSHRCYP3A4
SCHEMBL4763566 0.84 HRH3 (0.48) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL4764726 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MAPTCYP2D6TSHRCYP3A4
SCHEMBL4766408 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MAPTCYP2D6TSHRCYP3A4

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 SMN1; SMN2 27/4885MAPT 1892/4885CYP2D6 3573/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885MAPT 3756/4885CYP2D6 2558/4885

“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.