SCHEMBL6436048

SCHEMBL6436048

Cc1ccccc1CNCC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CHRM2 P08172 2/20 0.45
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
PTPRC P08575 2/20 0.41
MEN1 O00255 1/20 0.40
AVPR2 P30518 1/20 0.40
TSHR P16473 1/20 0.40
VSIR Q9H7M9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL15876083 0.85 MTNR1A (0.43) KMT2AHTTPTPRCMEN1VSIR
SCHEMBL38651523 0.85 TSHR (0.53) KDM4EPTPRCTSHRVSIR
Hydrochloric Acid SCHEMBL8303604 0.83 HPGD (0.49) HPGDALDH1A1CHRM2KMT2AHTT
SCHEMBL6432866 0.82 ITGA4 (0.54) HPGDALDH1A1CHRM2KMT2AKDM4E
SCHEMBL5780166 0.82 HIF1A (0.43) ALDH1A1KMT2AHTTGAAPTPRC
SCHEMBL734928 0.80 ATM (0.55) ALDH1A1KMT2AGAAKDM4EPTPRC
SCHEMBL12318344 0.79 MTNR1A (0.48) HPGDALDH1A1KMT2ALMNAMEN1
SCHEMBL4707006 0.78 CHRM2 (0.49) HPGDALDH1A1CHRM2KMT2AHTT
Hydrochloric Acid SCHEMBL6433307 0.78 ATM (0.53) ALDH1A1KMT2AGAAKDM4EPTPRC
SCHEMBL3124959 0.78 ALDH1A1 (0.55) HPGDALDH1A1KMT2AHTTGAA

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 14 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
EP-1044967-B1 2-Pyridinylguanidine urokinase inhibitors PFIZER (US) 2004-08-11 EP disclosed
US-6673789-B2 TREATING INFILTRATION OF IMMUNE CELLS INTO INFLAMMATORY SITES PFIZER, INC. 2004-01-06 US disclosed
US-20030203914-A1 2-Pyridinylguanidine urokinase inhibitors DICKINSON ROGER PETER (GB) 2003-10-30 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
US-6583162-B1 2-pyridinylguanidine urokinase inhibitors WARNER-LAMBERT COMPANY 2003-06-24 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
CN-1318059-A Isoquinolines as urokinase inhibitors PFIZER (US) 2001-10-17 CN disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
EP-1044967-A2 2-Pyridinylguanidine urokinase inhibitors PFIZER INC. (US) 2000-10-18 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 (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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HPGD 913/4885ALDH1A1 2641/4885CHRM2 4691/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HPGD 913/4885ALDH1A1 2641/4885CHRM2 4691/4885
US-20030203914-A1 2-Pyridinylguanidine urokinase inhibitors PLAU, SERPINE1, REN HPGD 624/4885ALDH1A1 587/4885CHRM2 2068/4885

“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.