SCHEMBL21838579

SCHEMBL21838579

CN(C)[C@H]1CC(c2cccc(C3CC3)c2)=CC[C@@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.34
▸ KMO O15229 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ POLQ O75417 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL21838618 0.84 RIPK1 (0.32) NPC1RAB9A
SCHEMBL21838539 0.84 CNR2 (0.40) —
SCHEMBL21838641 0.78 KMO (0.37) NOTUMKMOHSD11B1POLQ
SCHEMBL21838602 0.78 KMO (0.37) NOTUMKMOHSD11B1POLQ
SCHEMBL20063855 0.77 KDM1A (0.39) —
SCHEMBL20063853 0.77 KDM1A (0.39) —
SCHEMBL21838557 0.76 APP (0.36) —
SCHEMBL21838644 0.71 SCN9A (0.39) HSD11B1
SCHEMBL21838611 0.71 RXFP1 (0.31) NPC1RAB9A
SCHEMBL21838628 0.70 AKR1C3 (0.44) HSD11B1POLQNPC1RAB9A

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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — 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 (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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 NOTUM 3035/4885KMO 1181/4885HSD11B1 316/4885

“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.

Send feedback