SCHEMBL7606450

SCHEMBL7606450

CCC(=O)NCCN1C(=O)C(C)(C)Oc2cc(C(F)(F)F)c(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.44
RXRA P19793 2/20 0.38
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL7601626 0.90 REN (0.36) RENRXRAALDH1A1MTNR1AMTNR1B
SCHEMBL7601625 0.89 REN (0.49) RENRXRAALDH1A1POLBGAA
SCHEMBL7602315 0.88 REN (0.53) RENRXRAALDH1A1POLBGAA
SCHEMBL7786994 0.87 REN (0.39) RENRXRAALDH1A1POLBGAA
SCHEMBL15488956 0.87 REN (0.36) RENRXRAPOLBMTNR1AMTNR1B
SCHEMBL27822436 0.82 REN (0.39) RENRXRAALDH1A1POLBGAA
SCHEMBL12353624 0.81 ALDH1A1 (0.51) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL7603165 0.81 REN (0.44) RENALDH1A1GAAMTNR1AMTNR1B
SCHEMBL7606307 0.81 REN (0.39) RENRXRAALDH1A1MAPTRECQL
SCHEMBL12354381 0.81 ALDH1A1 (0.41) RENALDH1A1POLBGAAMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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 (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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885RXRA 1477/4885ALDH1A1 288/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885RXRA 3258/4885ALDH1A1 484/4885

“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.