SCHEMBL6317971

SCHEMBL6317971

NNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.66
NPSR1 Q6W5P4 1/20 0.65
KDM1A O60341 1/20 0.64
RCOR1 Q9UKL0 1/20 0.64
TSHR P16473 3/20 0.64
KMT2A Q03164 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
RAB9A P51151 1/20 0.63
GFER P55789 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 2/20 0.61
PREP P48147 2/20 0.60
TP53 P04637 1/20 0.60
MEN1 O00255 1/20 0.60
CTSK P43235 1/20 0.59

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
SCHEMBL4758726 1.00 CTRB1 (0.66) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL8426716 0.88 NPSR1 (0.68) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL26477642 0.88 NPSR1 (0.68) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL8428146 0.88 NPSR1 (0.68) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL953204 0.86 KMT2A (0.69) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL7126774 0.86 CTRB1 (0.65) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL7265745 0.86 KDM4E (0.78) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL953206 0.86 KMT2A (0.69) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL7122529 0.86 CTRB1 (0.65) CTRB1NPSR1KDM1ARCOR1TSHR
SCHEMBL7265734 0.86 KDM4E (0.78) CTRB1NPSR1KDM1ARCOR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
US-20050153951-A1 Neurotrophic pyrrolidines and piperidines, and related compositions and methods KANOJIA RAMESH M (US) 2005-07-14 US disclosed
EP-1202990-A2 NEUROTROPHIC PYRROLIDINES AND PIPERIDINES, AND RELATED COMPOSITIONS CONTAINING THEM Ortho-McNeil Pharmaceutical, Inc. (US) 2002-05-08 EP disclosed
WO-2001004116-A2 NEUROTROPHIC PYRROLIDINES AND PIPERIDINES, AND RELATED COMPOSITIONS CONTAINING THEM ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-18 WO disclosed
EP-0475184-B1 Process for the production of peptides by solid phase synthesis HOECHST AG (DE) 1995-02-08 EP disclosed
EP-0475184-A1 Process for the production of peptides by solid phase synthesis HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-18 EP 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 (2 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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP CTRB1 3471/4885NPSR1 3004/4885KDM1A 1047/4885
US-20050153951-A1 Neurotrophic pyrrolidines and piperidines, and related compositions and methods BDNF, NTRK2, NGF CTRB1 3866/4885NPSR1 32/4885KDM1A 3717/4885

“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.