SCHEMBL4513693

SCHEMBL4513693

O=C(Cn1c(-c2ccccc2)c(CN2CCC(c3c(Cl)cccc3Cl)CC2)c2ccccc21)NCC1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
HDAC6 Q9UBN7 2/20 0.48
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.45
MDM2 Q00987 1/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4514939 0.84 OPRL1 (0.45)
SCHEMBL4521637 0.84 AVPR1B (0.42) SMN1; SMN2LMNAGAA
SCHEMBL4530222 0.83 OPRL1 (0.44) ALDH1A1SMN1; SMN2KDM4EL3MBTL1LMNA
SCHEMBL4520660 0.83 TSHR (0.49) ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4518399 0.82 POLB (0.47) KMT2AALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4505447 0.81 HTR2A (0.41) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4520043 0.81 S1PR5 (0.38) KDM4E
SCHEMBL4520337 0.81 ATM (0.47) KMT2AALDH1A1SMN1; SMN2KDM4EMEN1
Trifluoroacetic Acid SCHEMBL4510433 0.80 AVPR1A (0.41) HDAC6
SCHEMBL4518923 0.80 SIGMAR1 (0.48) KMT2AALDH1A1SMN1; SMN2L3MBTL1MEN1

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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 KMT2A 3625/4885HDAC6 3590/4885ALDH1A1 395/4885

“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.