SCHEMBL31758740

SCHEMBL31758740

CN1C(=O)C2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.47
BACE1 P56817 8/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NR1H2 P55055 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL17586454 1.00 IP6K1 (0.47) IP6K1BACE1LMNAMAPTGPR119
SCHEMBL22479327 0.91 BACE1 (0.41) IP6K1BACE1GPR119OPRM1OPRL1
SCHEMBL20955524 0.88 IP6K1 (0.48) IP6K1MAPTHRH3OPRM1OPRL1
SCHEMBL13480003 0.88 OPRM1 (0.52) IP6K1LMNAGPR119ALDH1A1HRH3
SCHEMBL17586461 0.87 USP30 (0.43) IP6K1BACE1LMNAMAPTALDH1A1
SCHEMBL31758493 0.87 USP30 (0.43) IP6K1BACE1LMNAMAPTALDH1A1
SCHEMBL25354443 0.87 IP6K1 (0.58) IP6K1HRH3OPRM1OPRL1OPRD1
SCHEMBL4976498 0.87 OPRM1 (0.53) IP6K1GPR119HRH3OPRM1OPRL1
SCHEMBL4976495 0.87 OPRM1 (0.53) IP6K1GPR119HRH3OPRM1OPRL1
SCHEMBL30623394 0.87 IP6K1 (0.58) IP6K1HRH3OPRM1OPRL1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 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-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP9, DPP7, DPP4 IP6K1 1623/4885BACE1 268/4885LMNA 3945/4885

“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.