SCHEMBL3583032

SCHEMBL3583032

NC(=O)C1CCN(C(C(=O)c2ccc(F)cc2F)C2CCNCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
DPP4 P27487 5/20 0.38
ACKR3 P25106 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.36
DPP9 Q86TI2 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 3/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL20475037 0.87 TP53 (0.41) SMN1; SMN2ALDH1A1CES2CES1LMNA
SCHEMBL3579412 0.79 RXFP1 (0.44) SMN1; SMN2ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL4672830 0.70 CES2 (0.52) ALDH1A1CES2CES1ACKR3L3MBTL1
SCHEMBL4670556 0.70 CES2 (0.45) CES2CES1DPP4SLC6A2SLC6A4
SCHEMBL4670554 0.70 CES2 (0.45) CES2CES1DPP4ACKR3SLC6A2
Hydrochloric Acid SCHEMBL1836446 0.69 CES2 (0.50) ALDH1A1CES2CES1ACKR3L3MBTL1
SCHEMBL4782622 0.66 RAB9A (0.48) SMN1; SMN2ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL8229680 0.65 L3MBTL1 (0.44) CES2CES1ACKR3SLC6A2SLC6A4
SCHEMBL14350907 0.65 L3MBTL1 (0.48) CES2CES1ACKR3SLC6A2SLC6A4
SCHEMBL1727139 0.65 DPP4 (0.51) SMN1; SMN2ALDH1A1DPP4KMT2AMEN1

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-7759363-B2 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. (US) 2010-07-20 US claimed
US-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists THERAVANCE, INC. 2006-11-30 US claimed

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-20060270652-A1 Benzimidazole-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR1A, HTR5A SMN1; SMN2 2098/4885ALDH1A1 1216/4885CES2 1445/4885

“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.