SCHEMBL13164136

SCHEMBL13164136

CC(C)(C)N1CC[C@H](N)C1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ DPP4 P27487 3/20 0.44
▸ POLB P06746 1/20 0.32

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
SCHEMBL24310396 1.00 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL13593671 1.00 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL18766055 0.98 MAPT (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31292033 0.79 CYP3A4 (0.36) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL29187453 0.77 POLB (0.38) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL26596862 0.77 POLB (0.38) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4867018 0.76 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4871672 0.76 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4866730 0.76 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4869429 0.76 CYP3A4 (0.43) CYP3A4TSHRTDP1MAPTAPEX1

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-20220119390-A1 TRICYCLIC COMPOUNDS JACOBIO PHARMACEUTICALS CO LTD (CN) 2022-04-21 — — US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CYP3A4 708/4885TSHR 4659/4885TDP1 2304/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP3A4 708/4885TSHR 4659/4885TDP1 2304/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CYP3A4 708/4885TSHR 4659/4885TDP1 2304/4885
US-20220119390-A1 TRICYCLIC COMPOUNDS BRD4, BET1, BRD3 CYP3A4 3619/4885TSHR 3091/4885TDP1 470/4885

“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.

Send feedback