SCHEMBL8445382

SCHEMBL8445382

CC(C)(C)NC(=O)CCBr

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.37
HDAC2 Q92769 1/20 0.37
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
DUT P33316 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 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
SCHEMBL19171550 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HPGDLMNAALDH1A1POLB
SCHEMBL10013998 0.80 CACNA1H (0.46) SMN1; SMN2HPGDLMNAALDH1A1POLB
SCHEMBL2164003 0.79
SCHEMBL10083606 0.79
SCHEMBL16216124 0.79
SCHEMBL9116620 0.79 ALDH1A1 (0.58) SMN1; SMN2HPGDLMNAALDH1A1POLB
SCHEMBL23772645 0.77 ALDH1A1 (0.56) SMN1; SMN2HPGDLMNAALDH1A1POLB
SCHEMBL10170 0.77 HDAC2 (0.52) SMN1; SMN2HPGDALDH1A1POLBHDAC2
SCHEMBL3902710 0.77 SMN1; SMN2 (0.46) SMN1; SMN2HPGDLMNAALDH1A1POLB
SCHEMBL23772642 0.77 ALDH1A1 (0.56) SMN1; SMN2HPGDLMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150598-B1 SUBSTITUTED TROPANE DERIVATIVES TOA EIYO LTD (JP) 2019-02-13 EP disclosed
US-9856250-B2 Substituted tropane derivatives TOA EIYO LTD. (JP) 2018-01-02 US disclosed
US-20170190699-A1 SUBSTITUTED TROPANE DERIVATIVES TOA EIYO LTD. (JP) 2017-07-06 US disclosed
EP-3150598-A1 SUBSTITUTED TROPANE DERIVATIVES TOA Eiyo Ltd. (JP) 2017-04-05 EP disclosed
US-8084395-B2 4-aza indole derivatives and their use as fungicides SYNGENTA CROP PROTECTION, INC. (US) 2011-12-27 US disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
EP-0395313-B1 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PROD (US) 1999-12-15 EP disclosed
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 US disclosed
EP-0395313-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-31 EP 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 (2 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-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 SMN1; SMN2 4466/4885HPGD 958/4885LMNA 4312/4885
US-20170190699-A1 SUBSTITUTED TROPANE DERIVATIVES CACNA1G, CACNA1H, CACNA1I SMN1; SMN2 539/4885HPGD 2573/4885LMNA 931/4885

“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.