SCHEMBL21180023

SCHEMBL21180023

COc1ccncc1-c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
NAAA Q02083 1/20 0.44
FYN P06241 2/20 0.41
DHFR P00374 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C8 P10632 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
ABL1 P00519 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL21180011 0.87 AAK1 (0.46) ERN1FYNDHFRABL1POLB
SCHEMBL15340842 0.81 HDAC4 (0.46) CYP1A2CYP2E1CYP2D6CYP2A6CYP2B6
SCHEMBL5049092 0.81 GSK3B (0.49) NAAACYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL12864158 0.81 NAAA (0.47) NAAACYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL21180004 0.81 ALDH1A1 (0.43) FYNCYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL27892826 0.79 CYP1A2 (0.51) NAAACYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL6291800 0.79 NAAA (0.46) NAAACYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL27892845 0.79 GSK3B (0.48) NAAACYP1A2CYP2E1CYP2D6CYP2A6
SCHEMBL20437882 0.77 CYP11B1 (0.47) CYP1A2PTGS2ABL1LMNADGAT1
SCHEMBL27316386 0.77 SMN1; SMN2 (0.51) ERN1FYNPOLBALDH1A1SMN1; SMN2

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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2019-07-23 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 (2 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 ERN1 4036/4885NAAA 3537/4885FYN 3132/4885
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, GPR119 ERN1 3040/4885NAAA 613/4885FYN 1508/4885

“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.