SCHEMBL1035600

SCHEMBL1035600

COc1ccc(C(=O)CN(C)Cc2cccc(OCCCO)c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.41
ACHE P22303 7/20 0.41
BCHE P06276 5/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL1037264 0.86 SLC2A1 (0.47) SMN1; SMN2ALDH1A1ACHEBCHEATM
SCHEMBL1035892 0.86 SLC2A1 (0.49) ALDH1A1ACHEBCHE
SCHEMBL1039110 0.86 SIGMAR1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AACHE
SCHEMBL5992516 0.85 KDM4E (0.47) SMN1; SMN2ACHEBCHECD274
SCHEMBL1038530 0.83 ACHE (0.47) SMN1; SMN2ALDH1A1ACHEBCHEATM
SCHEMBL1035774 0.81 MAOB (0.45) MEN1KMT2AACHEBCHECD274
SCHEMBL747460 0.80 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AACHE
SCHEMBL1032923 0.80 ACHE (0.43) SMN1; SMN2ALDH1A1ACHEBCHECD274
SCHEMBL1036964 0.79 MEN1 (0.45) SMN1; SMN2MEN1KMT2AACHEBCHE
SCHEMBL1038386 0.79 TMEM97 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831173-B1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2011-01-26 EP disclosed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US 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-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 SMN1; SMN2 3530/4885ALDH1A1 2450/4885MEN1 1264/4885

“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.