SCHEMBL18093441

SCHEMBL18093441

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@]2(C)c1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
RORC P51449 8/20 0.43
GPR119 Q8TDV5 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NR1H3 Q13133 1/20 0.39
NAMPT P43490 1/20 0.39
USP30 Q70CQ3 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL18093442 1.00 NR1H2 (0.44) NR1H2RORCGPR119HDAC1HDAC2
SCHEMBL18093440 1.00 NR1H2 (0.44) NR1H2RORCGPR119HDAC1HDAC2
SCHEMBL18093463 0.84 NR1H2 (0.41) NR1H2RORCGPR119HDAC1HDAC2
SCHEMBL18093462 0.84 NR1H2 (0.41) NR1H2RORCGPR119HDAC1HDAC2
SCHEMBL18093461 0.84 NR1H2 (0.41) NR1H2RORCGPR119HDAC1HDAC2
SCHEMBL18093423 0.82 MAPT (0.50) RORCKDM1A
SCHEMBL18091499 0.82 MAPT (0.50) RORCKDM1A
SCHEMBL18091500 0.82 MAPT (0.50) RORCKDM1A
SCHEMBL18091498 0.82 MAPT (0.50) RORCKDM1A
SCHEMBL18091569 0.82 NPY1R (0.41) PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663463-B2 3-azabicyclo[3.1.0]hexane derivative and use thereof for medical purpose SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2017-05-30 US disclosed
US-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-29 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-20160280645-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSE OPRM1, OPRD1, OPRK1 NR1H2 97/4885RORC 237/4885GPR119 187/4885

“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.