SCHEMBL7601625

SCHEMBL7601625

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.49
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7606450 0.89 REN (0.44) RENMTNR1AMTNR1BALDH1A1POLB
SCHEMBL7601621 0.88 MTNR1A (0.40) RENMTNR1AMTNR1BALDH1A1CYP2C9
SCHEMBL5987737 0.87 KMT2A (0.46) RENALDH1A1POLBGAAMAPT
SCHEMBL7601630 0.86 REN (0.47) RENMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL5985312 0.85 REN (0.59) RENALDH1A1POLBGAAMAPT
SCHEMBL15488957 0.84 REN (0.40) RENMTNR1AMTNR1BCYP2C9TSHR
SCHEMBL7602330 0.84 REN (0.44) RENMTNR1AMTNR1BALDH1A1POLB
SCHEMBL7602333 0.83 REN (0.48) RENALDH1A1POLBGAAMAPT
SCHEMBL27822436 0.80 REN (0.39) RENMTNR1AMTNR1BALDH1A1POLB
SCHEMBL7786994 0.80 REN (0.39) RENMTNR1AMTNR1BALDH1A1POLB

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 3 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885MTNR1A 461/4885MTNR1B 179/4885

“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.