SCHEMBL7601630

SCHEMBL7601630

CCC(=O)NCCN1C(=O)C2(CC2)Oc2cc(C)c(C)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.47
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7602330 0.95 REN (0.44) RENMTNR1AMTNR1BTSHRTP53
SCHEMBL7601625 0.86 REN (0.49) RENMTNR1AMTNR1BTSHRTP53
SCHEMBL7601621 0.84 MTNR1A (0.40) RENMTNR1AMTNR1BTSHRTP53
SCHEMBL7606455 0.82 REN (0.45) RENTSHRTP53ALDH1A1CYP3A4
SCHEMBL5988203 0.81 REN (0.37) RENTSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL7602340 0.80 REN (0.41) REN
SCHEMBL15488957 0.80 REN (0.40) RENMTNR1AMTNR1BTSHRTP53
SCHEMBL5988796 0.79 REN (0.36) RENTSHRALDH1A1HPGDKMT2A
SCHEMBL12353604 0.78 REN (0.35) RENMTNR1AMTNR1BALDH1A1HSD17B10
SCHEMBL12353616 0.78 REN (0.35) RENMTNR1AMTNR1BALDH1A1HSD17B10

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.