SCHEMBL21189310

SCHEMBL21189310

CNC(=O)N1CCC(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(Cl)c4)ccc(F)c32)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
CHRM3 P20309 8/20 0.39
CNR1 P21554 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR35 Q9HC97 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.37
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36

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
SCHEMBL21189492 0.93 CHRM3 (0.40) MAPTLMNACHRM3CNR1NPSR1
SCHEMBL19973907 0.92 IDO1 (0.40) MAPTLMNACHRM3CNR1NPSR1
SCHEMBL19973909 0.92 IDO1 (0.40) MAPTLMNACHRM3CNR1NPSR1
SCHEMBL21189385 0.90 CHRM3 (0.38) MAPTLMNACHRM3CNR1NPSR1
SCHEMBL21189308 0.89 MAPT (0.49) MAPTLMNACNR1NPSR1GPR35
SCHEMBL19973963 0.88 MCHR1 (0.40) MAPTLMNACHRM3SMN1; SMN2CPT2
SCHEMBL21189382 0.86 KMT2A (0.39) MAPTLMNACHRM3CPT2CPT1A
SCHEMBL19973622 0.86 CHRM1 (0.47) CHRM3ALDH1A1SMN1; SMN2CHRM2CHRM1
Hydrochloric Acid SCHEMBL19973889 0.86 CHRM1 (0.46) CHRM3ALDH1A1SMN1; SMN2CHRM2CHRM1
SCHEMBL21189309 0.83 CHRM3 (0.39) MAPTLMNACHRM3CPT2CPT1A

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 MAPT 3165/4885LMNA 477/4885CHRM3 2581/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS MAPT 3165/4885LMNA 477/4885CHRM3 2581/4885

“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.