SCHEMBL4773966

SCHEMBL4773966

CCN1CCN(c2nc(-c3ccc(OCCCc4cccnc4)cc3)cc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ACP1 P24666 1/20 0.44
PRMT5 O14744 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 2/20 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
Hydrochloric Acid SCHEMBL4772922 0.99 TSHR (0.48) TSHRACP1PRMT5CYP3A4CYP2D6
SCHEMBL4766421 0.90 SMN1; SMN2 (0.47) TSHRACP1PRMT5SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL4764185 0.89 SMN1; SMN2 (0.46) TSHRACP1PRMT5SMN1; SMN2RAB9A
SCHEMBL4772563 0.85 PRMT5 (0.41) TSHRPRMT5SMN1; SMN2RAB9AMAPK1
Hydrochloric Acid SCHEMBL6289207 0.84 TSHR (0.40) TSHRPRMT5SMN1; SMN2RAB9AMAPK1
SCHEMBL4768918 0.83 RAB9A (0.46) PRMT5SMN1; SMN2RAB9AMAPK1LMNA
SCHEMBL4769109 0.83 PRMT5 (0.47) PRMT5SMN1; SMN2RAB9AMAPK1LMNA
SCHEMBL4086176 0.83 RAB9A (0.46) PRMT5SMN1; SMN2RAB9AMAPK1LMNA
Hydrochloric Acid SCHEMBL4774080 0.82 RAB9A (0.46) TSHRPRMT5SMN1; SMN2RAB9AMAPK1
Hydrochloric Acid SCHEMBL4763743 0.82 PRMT5 (0.46) PRMT5SMN1; SMN2RAB9AMAPK1LMNA

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 10 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
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 1481/4885ACP1 4287/4885PRMT5 2420/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TSHR 962/4885ACP1 4323/4885PRMT5 738/4885

“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.