SCHEMBL4768935

SCHEMBL4768935

CCN1CCN(c2nc(C#Cc3ccc(OCCO)cc3)cc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.40
PRMT5 O14744 1/20 0.40
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2D6 P10635 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 3/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 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
Hydrochloric Acid SCHEMBL4771029 0.99 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL4773627 0.92 CYP2D6 (0.39) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL4764720 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLMNAMAPK1KMT2A
Hydrochloric Acid SCHEMBL6289289 0.87 KMT2A (0.41) SMN1; SMN2MAPTLMNAKMT2AL3MBTL1
SCHEMBL4764486 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLMNAKMT2AL3MBTL1
SCHEMBL4774473 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4772876 0.84 KMT2A (0.47) SMN1; SMN2MAPTLMNAKMT2AL3MBTL1
SCHEMBL4086176 0.84 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL4763362 0.83 KMT2A (0.41) SMN1; SMN2MAPTLMNAKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4775551 0.83 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTLMNA

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 RAB9A 2421/4885NPC1 4578/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 RAB9A 2304/4885NPC1 4576/4885SMN1; SMN2 37/4885

“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.