SCHEMBL5492268

SCHEMBL5492268

CN(C)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CC1(CC(=O)O)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.57
AVPR1A P37288 1/20 0.52
AVPR1B P47901 1/20 0.46
MMP1 P03956 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRND Q07001 1/20 0.43

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
SCHEMBL5494080 0.99 TACR2 (0.55) TACR2AVPR1AAVPR1BMMP1CHRNB2
SCHEMBL5491193 0.95 TACR2 (0.55) TACR2AVPR1AAVPR1BMMP1ALDH1A1
SCHEMBL5494652 0.94 TACR2 (0.53) TACR2AVPR1AAVPR1BALDH1A1CHRNA1
SCHEMBL5496976 0.87 TACR2 (0.54) TACR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5493574 0.85 CHRNA1 (0.47) TACR2MMP1CHRNB2CHRNB4CHRNA3
SCHEMBL5489864 0.83 CHRNA1 (0.48) TACR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6409719 0.82 F7 (0.51) TACR2MMP1ALDH1A1
SCHEMBL6407102 0.81 F7 (0.52) TACR2MMP1ALDH1A1
SCHEMBL6407708 0.79 MMP1 (0.53) MMP1USP2ALDH1A1HPGD
SCHEMBL5492106 0.78 GAA (0.46) TACR2MMP1USP2ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 TACR2 2185/4885AVPR1A 2997/4885AVPR1B 2920/4885

“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.