SCHEMBL3766657

SCHEMBL3766657

CNC(C)C(OCCC(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ PKM P14618 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL11142447 0.79 CYP2D6 (0.47) CYP2D6CYP3A4PKMADRA1ACYP2C19
SCHEMBL5867158 0.75 HTR2A (0.48) CYP2D6CYP3A4PKMADRA1ACYP2C19
SCHEMBL2323888 0.74 TSHR (0.45) CYP2D6CYP3A4PKMADRA1ACYP2C19
Hydrochloric Acid SCHEMBL6240205 0.73 KMT2A (0.50) CYP2D6CYP3A4PKMADRA1ACYP2C19
SCHEMBL17274525 0.73 TDP1 (0.38) CYP2D6CYP3A4PKMADRA1ACYP2C19
Racephedrine SCHEMBL8728630 0.73 ADRA2C (0.71) CYP2D6CYP3A4PKMADRA1ACYP2C19
Pseudoephedrine SCHEMBL8728628 0.73 ADRA2C (0.71) CYP2D6CYP3A4PKMADRA1ACYP2C19
Racephedrine SCHEMBL2081241 0.73 ADRA2C (0.71) CYP2D6CYP3A4PKMADRA1ACYP2C19
Racephedrine SCHEMBL8017708 0.73 ADRA2C (0.71) CYP2D6CYP3A4PKMADRA1ACYP2C19
Pseudoephedrine SCHEMBL2081239 0.73 ADRA2C (0.71) CYP2D6CYP3A4PKMADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230194486-A1 QUANTITATIVE CHIRALITY AND CONCENTRATION SENSING OF CHIRAL ANALYTES USING A RELAY ASSAY NATIONAL SCIENCE FOUNDATION 2023-06-22 — — US disclosed
US-10640481-B2 Methods for producing Beraprost and its derivatives LUNG BIOTECHNOLOGY PBC (US) 2020-05-05 — — US disclosed
US-20190202797-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES LUNG BIOTECHNOLOGY PBC (US) 2019-07-04 — — US disclosed
US-10246430-B2 Methods for producing Beraprost and its derivatives LUNG BIOTECHNOLOGY PBC (US) 2019-04-02 — — US disclosed
US-20180265490-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES LUNG BIOTECHNOLOGY PBC (US) 2018-09-20 — — US disclosed
US-10005753-B2 Methods for producing beraprost and its derivatives LUNG BIOTECHNOLOGY PBC (US) 2018-06-26 — — US disclosed
US-20170166545-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES LUNG BIOTECHNOLOGY PBC (US) 2017-06-15 — — US disclosed
US-8334385-B2 Process for the preparation of R-sitagliptin and its pharmaceutically acceptable salts thereof GLENMARK GENERICS LIMITED 2012-12-18 — — US disclosed
US-20100317856-A1 PROCESS FOR THE PREPARATION OF R-SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF GLENMARK GENERICS LTD (IN) 2010-12-16 — — 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 (7 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-20180265490-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES UMPS, GGPS1, DHPS CYP2D6 528/4885CYP3A4 478/4885PKM 1318/4885
US-20170166545-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES CYP51A1, COASY, BLVRB CYP2D6 41/4885CYP3A4 28/4885PKM 695/4885
US-10246430-B2 Methods for producing Beraprost and its derivatives UMPS, GGPS1, DHPS CYP2D6 528/4885CYP3A4 478/4885PKM 1318/4885
US-20100317856-A1 PROCESS FOR THE PREPARATION OF R-SITAGLIPTIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DPP4, DPP9, DPP3 CYP2D6 626/4885CYP3A4 44/4885PKM 1940/4885
US-10005753-B2 Methods for producing beraprost and its derivatives CYP51A1, COASY, BLVRB CYP2D6 41/4885CYP3A4 28/4885PKM 695/4885
US-10640481-B2 Methods for producing Beraprost and its derivatives UMPS, GGPS1, DHPS CYP2D6 528/4885CYP3A4 478/4885PKM 1318/4885
US-20190202797-A1 METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES UMPS, GGPS1, DHPS CYP2D6 528/4885CYP3A4 478/4885PKM 1318/4885

“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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