SCHEMBL4139712

SCHEMBL4139712

CC(C)(C)CC(=O)N1C[C@H](c2ccccc2)[C@@H](C=O)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.40
RORC P51449 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CCR5 P51681 1/20 0.37
RIPK1 Q13546 1/20 0.37
LIPE Q05469 1/20 0.36
TACR1 P25103 1/20 0.36
KDM1A O60341 4/20 0.36
MAOB P27338 2/20 0.36
GRM5 P41594 1/20 0.35
RBP4 P02753 2/20 0.35
MAOA P21397 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
SCHEMBL31611372 0.80 TLR2 (0.38) RORCHRH3SIGMAR1CCR5KDM1A
SCHEMBL2342856 0.79 RORC (0.60) RORCTACR1
SCHEMBL26303125 0.79 RORC (0.60) RORCTACR1
SCHEMBL2335935 0.79 RORC (0.60) RORCTACR1
SCHEMBL25498542 0.79 ALDH1A1 (0.49) RIPK1
SCHEMBL4094853 0.77 KDM1A (0.48) RORCHRH3CCR5RIPK1TACR1
SCHEMBL4096415 0.77 KDM1A (0.48) RORCHRH3CCR5RIPK1TACR1
SCHEMBL7494824 0.76 HRH3 (0.38) RORCHRH3SIGMAR1RIPK1KDM1A
SCHEMBL7938511 0.76 HRH3 (0.38) RORCHRH3SIGMAR1RIPK1KDM1A
SCHEMBL25785910 0.75 ACHE (0.40) HRH3SIGMAR1

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-8076349-B2 Such as (3S,4S)-3-[3-(4-Methanesulfonylbenzyl)-bicyclo[3.2.1]-2,4-dioxo-1 alpha ,3,8-triaza-spiro[4.5]dodec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester; inflammation; HIV VIROCHEM PHARMA INC. (CA) 2011-12-13 US disclosed
US-20090047238-A1 Novel Spirotropane Compounds And Methods For The Modulation Of Chemokine Receptor Activity VIROCHEM PHARMA INC. (CA) 2009-02-19 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-20090047238-A1 Novel Spirotropane Compounds And Methods For The Modulation Of Chemokine Receptor Activity AVPR2, CCR5, CXCR1 USP7 3556/4885RORC 643/4885HRH3 644/4885

“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.