SCHEMBL4868053

SCHEMBL4868053

COc1ccc(CC2(NNc3ccc(CC4(N)CCCC4)cc3)CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
CTSK P43235 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 3/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1822033 0.83 MAOB (0.47) MAOAMAOBTSHRIDO1AGXT
Hydrochloric Acid SCHEMBL3966019 0.82 IDO1 (0.47) MAOAMAOBTSHRIDO1AGXT
SCHEMBL1824988 0.82 SLC6A4 (0.46) MAOAMAOBTSHRIDO1AGXT
Hydrochloric Acid SCHEMBL3967323 0.80 IDO1 (0.46) MAOAMAOBTSHRIDO1AGXT
SCHEMBL4868046 0.78 TDP1 (0.52) ALDH1A1MAOAMAOBTSHRTDP1
SCHEMBL1824702 0.77 MAOB (0.55) ALOX15ALDH1A1MAOAMAOBTSHR
Hydrochloric Acid SCHEMBL30293103 0.75 MAOB (0.53) ALDH1A1MAOAMAOBTDP1IDO1
SCHEMBL2371058 0.68 TAAR1 (0.52) MAOBTSHRSMN1; SMN2NPSR1IDO1
SCHEMBL15759290 0.68 LTA4H (0.46) ALOX15ALDH1A1SAE1UBA2TSHR
SCHEMBL1820761 0.67 TSHR (0.50) MAOBTSHRSMN1; SMN2NPSR1IDO1

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
US-7423035-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 GAA 2668/4885CTSK 641/4885ALOX15 260/4885

“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.