SCHEMBL4572114

SCHEMBL4572114

CC(CN)Oc1cccc(OCC2(O)CCCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.36
▸ MTNR1B P49286 6/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL15150992 1.00 MTNR1A (0.36) MTNR1AMTNR1BSLC6A2SLC6A4TP53
SCHEMBL19291602 1.00 MTNR1A (0.36) MTNR1AMTNR1BSLC6A2SLC6A4TP53
SCHEMBL15150975 1.00 MTNR1A (0.36) MTNR1AMTNR1BSLC6A2SLC6A4TP53
SCHEMBL15150990 1.00 MTNR1A (0.36) MTNR1AMTNR1BSLC6A2SLC6A4TP53
SCHEMBL15150998 1.00 MTNR1A (0.36) MTNR1AMTNR1BSLC6A2SLC6A4TP53
SCHEMBL15150983 0.99 MTNR1A (0.36) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL15150974 0.99 MTNR1A (0.36) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL4568996 0.88 GPBAR1 (0.44) MTNR1AMTNR1BTP53DRD2ACE2
SCHEMBL4568998 0.88 GPBAR1 (0.44) MTNR1AMTNR1BTP53DRD2ACE2
SCHEMBL4568997 0.88 GPBAR1 (0.44) MTNR1AMTNR1BTP53DRD2ACE2

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-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 — — EP disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 — — 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER MTNR1A 89/4885MTNR1B 85/4885SLC6A2 1848/4885

“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.

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