SCHEMBL4173915

SCHEMBL4173915

C1CCN(CCSCCN2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL12055886 0.97 ALDH1A1 (0.50) HRH3ALDH1A1TSHRALOX15MAPT
SCHEMBL13895095 0.88 ALDH1A1 (0.44) HRH3ALDH1A1TSHRALOX15MAPT
SCHEMBL20465002 0.85 TDP1 (0.48) HRH3ALDH1A1TSHRALOX15MAPT
SCHEMBL690245 0.85 ALDH1A1 (0.45) HRH3ALDH1A1TSHRALOX15MAPT
SCHEMBL8967500 0.84 HRH3 (0.44) HRH3ALDH1A1TSHRALOX15MAPT
SCHEMBL28726647 0.84 ALDH1A1 (0.46) HRH3ALDH1A1TSHRALOX15MAPT
SCHEMBL6678765 0.83 HRH3 (0.62) HRH3ALDH1A1TSHRMAPTPOLB
SCHEMBL8966776 0.82 HRH3 (0.43) HRH3ALDH1A1TSHRMEN1KMT2A
SCHEMBL8495022 0.82 HRH3 (0.52) HRH3ALDH1A1TSHRALOX15MAPT
SCHEMBL19841298 0.81 ALDH1A1 (0.42) HRH3ALDH1A1TSHRALOX15MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-6770661-B2 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2004-08-03 US disclosed
EP-1432424-A1 HETEROCYCLIC SUBSTITUTED 2- (4-PHENOXY) PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF NEURONAL DAMAGE AND NEURODEGENERATIVE CONDITIONS Euro-Celtique S.A. (LU) 2004-06-30 EP disclosed
US-20030073724-A1 Aryl substituted pyridines and their use PURDUE PHARMA L.P. 2003-04-17 US disclosed
WO-2003022285-A1 HETEROCYCLIC SUBSTITUTED 2- (4-PHENOXY) PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF NEURONAL DAMAGE AND NEURODEGENERATIVE CONDITIONS EURO-CELTIQUE S.A. (LU) 2003-03-20 WO 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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES APOB, LDLR, CETP HRH3 218/4885ALDH1A1 1853/4885TSHR 1243/4885
US-20030073724-A1 Aryl substituted pyridines and their use CACNA1S, SCN1A, SMN1; SMN2 HRH3 1689/4885ALDH1A1 32/4885TSHR 883/4885

“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.