SCHEMBL6433488

SCHEMBL6433488

CC(C)(C)OC(=O)[C@H]1CCCCN1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN5A Q14524 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 3/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
GAA P10253 1/20 0.34
PRCP P42785 1/20 0.34
EPHX1 P07099 2/20 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
SCHEMBL572824 1.00 SCN9A (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL926731 1.00 SCN9A (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL28930290 0.98 GAA (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28945847 0.98 SCN9A (0.35) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL29510808 0.98 GAA (0.36) SCN9ASCN3ASCN5ACYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8906767 0.98 SCN9A (0.35) SCN9ASCN3ASCN5ACYP3A4CYP2D6
SCHEMBL248746 0.94 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4FAP
SCHEMBL40093 0.94 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4FAP
SCHEMBL248747 0.94 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4FAP
Hydrochloric Acid SCHEMBL661790 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4FAP

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
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-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
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
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
US-5446158-A Process for synthesis of FK-506 and tricarbonyl intermediates MERCK & CO., INC. (US) 1995-08-29 US disclosed
EP-0378318-A1 Process for synthesis of FK-506 and tricarbonyl intermediates MERCK & CO. INC. (US) 1990-07-18 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 SCN9A 4362/4885SCN3A 4329/4885SCN5A 4528/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 SCN9A 4362/4885SCN3A 4329/4885SCN5A 4528/4885

“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.