SCHEMBL21189426

SCHEMBL21189426

Nc1cc(C(=O)Nc2ccc(F)c(F)c2)c2c(c1)[C@@H](NC(=O)OCc1ccccn1)CCO2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GRM4 Q14833 8/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 2/20 0.35
P2RX7 Q99572 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL19973466 0.90 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189264 0.90 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189330 0.90 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189367 0.86 RAB9A (0.44) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189208 0.86 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189259 0.83 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189349 0.83 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189289 0.83 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2GRM4
SCHEMBL21189358 0.83 MAOB (0.39) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL21189408 0.82 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2GRM4

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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS NPC1 983/4885RAB9A 1393/4885MAPT 3165/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS NPC1 983/4885RAB9A 1393/4885MAPT 3165/4885

“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.