SCHEMBL6436697

SCHEMBL6436697

CC(C)(C)OC(=O)[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
BTK Q06187 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
DGAT1 O75907 1/20 0.30
GAA P10253 1/20 0.30
TLR2 O60603 1/20 0.30

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
SCHEMBL583322 1.00 HRH3 (0.45) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL15975247 1.00 HRH3 (0.45) HRH3MAPK1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9469827 0.98 HRH3 (0.44) HRH3MAPK1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL29381986 0.98 HRH3 (0.44) HRH3MAPK1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9469820 0.98 HRH3 (0.44) HRH3MAPK1CHRM2CHRM1CHRM3
Acetic Acid SCHEMBL28749895 0.94 HRH3 (0.42) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL26140843 0.93 HRH3 (0.41) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL28492122 0.89 HRH3 (0.51) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL186721 0.89 HRH3 (0.51) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL1295721 0.89 HRH3 (0.51) HRH3MAPK1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 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 (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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HRH3 3270/4885MAPK1 2355/4885CHRM2 4691/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HRH3 3270/4885MAPK1 2355/4885CHRM2 4691/4885

“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.