SCHEMBL16134088

SCHEMBL16134088

CCOC(=O)[C@@H]1CC[C@@H](N)[C@@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL31368168 1.00 MAPT (0.41) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL12035340 1.00 MAPT (0.41) MAPTALDH1A1KMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL31368064 0.98 MAPT (0.41) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL16674652 0.86 MAPT (0.41) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL16683542 0.86 MAPT (0.44) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL19018903 0.86 MAPT (0.44) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL17131603 0.84 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL16134086 0.84 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL31009727 0.84 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CYP3A4
SCHEMBL7488214 0.83 MAPT (0.41) MAPTALDH1A1KMT2AMEN1CYP3A4

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
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 — — US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 — — US disclosed
US-9321786-B2 Heteroaryl compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-04-26 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
US-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2014-10-02 — — 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 (5 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-20140296233-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885ALDH1A1 684/4885KMT2A 3318/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC MAPT 4190/4885ALDH1A1 3719/4885KMT2A 2523/4885
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885ALDH1A1 684/4885KMT2A 3318/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885ALDH1A1 684/4885KMT2A 3318/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC MAPT 4190/4885ALDH1A1 3719/4885KMT2A 2523/4885

“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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