SCHEMBL17605147

SCHEMBL17605147

COC(=O)[C@]1(NC(=O)NCC(=O)OC(C)(C)C)CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.39
TACR3 P29371 2/20 0.36
TACR1 P25103 1/20 0.36
KDM1A O60341 3/20 0.36
PTPRC P08575 2/20 0.35
GHSR Q92847 1/20 0.35
OPRL1 P41146 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
PPID Q08752 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL17605146 1.00 AVPR2 (0.39) AVPR2TACR3TACR1KDM1APTPRC
SCHEMBL3930950 0.74 KDM1A (0.38) TACR3TACR1KDM1AGHSRHDAC9
SCHEMBL306307 0.72 GHSR (0.43) KDM1AGHSRHDAC9
SCHEMBL18614341 0.72 GHSR (0.43) KDM1AGHSRHDAC9
SCHEMBL4837190 0.72 GHSR (0.43) KDM1AGHSRHDAC9
SCHEMBL17322729 0.71 GHSR (0.41) KDM1AGHSR
SCHEMBL23572901 0.70 KDM1A (0.43) KDM1AGHSR
SCHEMBL17313109 0.70 KDM1A (0.43) KDM1AGHSR
SCHEMBL18268332 0.68 KDM1A (0.45) KDM1AGHSR
SCHEMBL18918545 0.68 KDM1A (0.40) KDM1AGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO 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 (3 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 AVPR2 1085/4885TACR3 2894/4885TACR1 1106/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A AVPR2 1158/4885TACR3 2719/4885TACR1 1093/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 AVPR2 1085/4885TACR3 2894/4885TACR1 1106/4885

“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.