SCHEMBL12680071

SCHEMBL12680071

CC(C)C(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.69
▸ SLC7A5 Q01650 1/20 0.69
▸ HRH4 Q9H3N8 3/20 0.67
▸ HRH3 Q9Y5N1 3/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ GLA P06280 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ THPO P40225 1/20 0.67
▸ LMNA P02545 1/20 0.65
▸ APEX1 P27695 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ NLN Q9BYT8 1/20 0.50

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
SCHEMBL8234259 0.84 CYP3A4 (0.57) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL13609239 0.83 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL7962292 0.83 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL18162806 0.83 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL26576389 0.83 HRH4 (0.56) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL28093400 0.82 CYP3A4 (0.93) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5717709 0.81 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL19974306 0.81 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL388560 0.81 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
D-Histidine SCHEMBL288043 0.81 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017535-A1 INHIBITORS OF ALDOSE REDUCTASE BARCLAYS BANK PLC (GB) 2022-01-20 — — US disclosed
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2021-09-09 — — US disclosed
US-8354383-B2 6,11-bridged biaryl macrolides ENANTA PHARMACEUTICALS, INC. (US) 2013-01-15 — — US disclosed
US-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 — — US disclosed
US-8273720-B2 6,11-bicyclolides: bridged biaryl macrolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 — — US disclosed
US-7785825-B2 Compositions and methods for dehydration and cyclization of peptides, synthetic compounds, and lantibiotics THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-08-31 — — US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-03-19 — — 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 (6 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-20090075915-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 CYP3A4 19/4885SLC7A5 2041/4885HRH4 3325/4885
US-20090270457-A1 6,11-BICYCLOLIDES: BRIDGED BIARYL MACROLIDE DERIVATIVES CYP2B6, ABCB11, CYP2D6 CYP3A4 19/4885SLC7A5 2041/4885HRH4 3325/4885
US-20220017535-A1 INHIBITORS OF ALDOSE REDUCTASE PMM2, DPM1, BPGM CYP3A4 2713/4885SLC7A5 4419/4885HRH4 3955/4885
US-20090118506-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CYP3A4 18/4885SLC7A5 1562/4885HRH4 2447/4885
US-20210277050-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF EYE DISORDERS F5, OR10J3, SHBG CYP3A4 25/4885SLC7A5 2176/4885HRH4 1512/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 CYP3A4 16/4885SLC7A5 1641/4885HRH4 2415/4885

“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.

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