SCHEMBL19408614

SCHEMBL19408614

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 1/20 0.41
▸ ABAT P80404 2/20 0.35
▸ APLNR P35414 1/20 0.33
▸ SLC6A12 P48065 3/20 0.32
▸ SLC6A11 P48066 3/20 0.32
▸ SLC6A13 Q9NSD5 3/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ OAT P04181 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ PLG P00747 1/20 0.30
▸ PLAT P00750 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ SLC1A3 P43003 1/20 0.30
▸ SLC1A2 P43004 1/20 0.30
▸ SLC1A1 P43005 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
SCHEMBL3554318 0.83 CHRNB2 (0.46) —
SCHEMBL3572854 0.83 GABRR1 (0.43) GABRR1ABATAPLNRSLC6A12SLC6A11
SCHEMBL18208837 0.83 GABRR1 (0.43) GABRR1ABATAPLNRSLC6A12SLC6A11
SCHEMBL7533189 0.80 APLNR (0.34) GABRR1APLNRCYP1A2ALOX15CYP2C19
SCHEMBL15305138 0.79 GABRR1 (0.38) GABRR1ABATAPLNRCYP2D6
SCHEMBL3395557 0.78 APLNR (0.33) GABRR1APLNRCYP1A2ALOX15CYP2C19
SCHEMBL2410128 0.78 APLNR (0.33) GABRR1APLNRCYP1A2ALOX15CYP2C19
SCHEMBL3448078 0.78 APLNR (0.33) GABRR1APLNRCYP1A2ALOX15CYP2C19
SCHEMBL3488947 0.78 APLNR (0.33) GABRR1APLNRCYP1A2ALOX15CYP2C19
SCHEMBL3490671 0.78 APLNR (0.33) GABRR1APLNRCYP1A2ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 — — CN disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 — — CN disclosed
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-11-03 — — US disclosed
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2020-10-13 — — US disclosed
US-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-06-23 — — US disclosed
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 — — 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 (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-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 GABRR1 532/4885ABAT 2343/4885APLNR 4498/4885
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 GABRR1 492/4885ABAT 2305/4885APLNR 4600/4885
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 GABRR1 532/4885ABAT 2343/4885APLNR 4498/4885
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 GABRR1 492/4885ABAT 2305/4885APLNR 4600/4885
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 GABRR1 492/4885ABAT 2305/4885APLNR 4600/4885
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, MYLK2 GABRR1 492/4885ABAT 2305/4885APLNR 4600/4885

“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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