SCHEMBL1285753

SCHEMBL1285753

CC1Cc2c(cccc2N2CC[C@H](NC(=O)O)C2C(C)(C)C)O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MTNR1A P48039 10/20 0.34
MTNR1B P49286 10/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1285341 0.88 MAPT (0.38) MAPTLMNATHRBPOLBALDH1A1
SCHEMBL1285451 0.85 MTNR1A (0.36) MTNR1AMTNR1BMAPTTHRBDRD2
SCHEMBL1284768 0.82 SSTR1 (0.30)
SCHEMBL3433619 0.74 MTNR1A (0.58) MTNR1AMTNR1BPOLBGAA
SCHEMBL1285098 0.68 PARP1 (0.32) ALDH1A1
SCHEMBL1696500 0.68 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL1285016 0.68 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL1285151 0.67 MTNR1A (0.55) KCNH2SCN5ASCN9AMTNR1AMTNR1B
SCHEMBL1284946 0.67 MTNR1A (0.71) MTNR1AMTNR1BMAPTLMNATHRB
SCHEMBL1285752 0.67 MTNR1A (0.40) MTNR1AMTNR1BPOLB

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-2443108-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS Ferrer Internacional, S.A. (ES) 2012-04-25 EP disclosed
US-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2012-04-12 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-20120088809-A1 1-(2-ALKYL-2,3-DIHYDRO-BENZOFURAN-4-YL)-PYRROLIDIN-3-YLAMINE ACYL COMPOUNDS MTNR1A, MTNR1B, TPH2 KCNH2 1226/4885SCN5A 1100/4885SCN9A 2532/4885

“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.