SCHEMBL7048481

SCHEMBL7048481

NC(=O)CCc1cccc2c1C(CCCCN1CCN(C(=O)Cc3ccccc3)CC1)(C(=O)O)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.43
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALOX15 P16050 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL7049639 0.97 SIGMAR1 (0.43) SIGMAR1NOS3NOS1MEN1KMT2A
SCHEMBL7047136 0.92 SIGMAR1 (0.43) SIGMAR1NOS3NOS1MEN1KMT2A
SCHEMBL7051788 0.86 SIGMAR1 (0.43) SIGMAR1NOS3NOS1MEN1KMT2A
SCHEMBL7052018 0.84 SIGMAR1 (0.43) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7048510 0.83 SIGMAR1 (0.41) SIGMAR1NOS3NOS1KDM4EALDH1A1
SCHEMBL27574371 0.83 SIGMAR1 (0.49) SIGMAR1NOS3NOS1MEN1KMT2A
SCHEMBL7049218 0.83 NOS3 (0.42) SIGMAR1NOS3NOS1KDM4EALDH1A1
SCHEMBL7047154 0.83 SIGMAR1 (0.41) SIGMAR1NOS3NOS1KDM4EALDH1A1
SCHEMBL6790993 0.83 DRD3 (0.40) HTR1AHTR7
SCHEMBL7049326 0.82 HSD11B1 (0.52) SIGMAR1MEN1KMT2AKDM4EALDH1A1

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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC SIGMAR1 671/4885NOS3 3260/4885NOS1 2214/4885

“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.