SCHEMBL19701896

SCHEMBL19701896

CC(C)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 1.00
ABCB1 P08183 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL19711140 1.00 PIK3CD (1.00) PIK3CDABCB1PLA2G1BATG4BCYP3A4
SCHEMBL19701902 0.85 PIK3CD (1.00) PIK3CD
SCHEMBL19701906 0.84 PIK3CD (1.00) PIK3CDCYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19701904 0.84 PIK3CD (1.00) PIK3CD
SCHEMBL17484854 0.82 PIK3CD (0.70) PIK3CDABCB1PLA2G1BATG4BL3MBTL1
SCHEMBL17479559 0.82 PIK3CD (0.70) PIK3CDABCB1PLA2G1BATG4BL3MBTL1
SCHEMBL17478596 0.82 PIK3CD (0.70) PIK3CDABCB1PLA2G1BATG4BL3MBTL1
SCHEMBL17478595 0.82 PIK3CD (0.70) PIK3CDABCB1PLA2G1BATG4BL3MBTL1
SCHEMBL18837763 0.82 PIK3CD (0.70) PIK3CDABCB1PLA2G1BATG4BL3MBTL1
SCHEMBL19701903 0.81 PIK3CD (1.00) PIK3CDCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (1 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 PIK3CD 14/4885ABCB1 998/4885PLA2G1B 2720/4885

“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.