SCHEMBL5864969

SCHEMBL5864969

Nc1ccc(OC2CCN(c3ccccc3)CC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
SCD O00767 3/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CSNK2A1 P68400 2/20 0.42
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALOX12 P18054 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40
GAA P10253 1/20 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
SCHEMBL20694380 0.92 HTR2C (0.45) ALDH1A1HTTSCDMAPTLMNA
SCHEMBL20694168 0.89 ALDH1A1 (0.43) ALDH1A1HTTSCDMAPTLMNA
SCHEMBL20694186 0.88 ALDH1A1 (0.55) ALDH1A1HTTMAPTLMNAGFER
SCHEMBL5864962 0.87 SCD (0.42) ALDH1A1HTTSCDMAPTLMNA
SCHEMBL20694197 0.87 ALDH1A1 (0.45) ALDH1A1HTTSCDMAPTLMNA
SCHEMBL20694252 0.87 LMNA (0.49) ALDH1A1HTTSCDMAPTLMNA
SCHEMBL20694348 0.86 ALDH1A1 (0.50) ALDH1A1HTTSCDMAPTTDP1
SCHEMBL20694344 0.86 BPTF (0.44) ALDH1A1HTTSCDMAPTLMNA
SCHEMBL5864926 0.85 TRPV6 (0.42) SCDHRH3
SCHEMBL20694175 0.85 MAPT (0.47) ALDH1A1HTTMAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019022223-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2019-01-31 WO disclosed
US-7030138-B2 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20040147555-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1375482-A1 BENZAMIDINE DERIVATIVE Sankyo Company, Limited (JP) 2004-01-02 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 (1 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-20040147555-A1 Benzamidine derivatives F9, F7, F2 ALDH1A1 1382/4885HTT 1397/4885SCD 2794/4885

“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.