SCHEMBL21189492

SCHEMBL21189492

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
CNR1 P21554 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 1/20 0.38
MCHR1 Q99705 2/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37

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
SCHEMBL19973907 0.93 IDO1 (0.40) CHRM3LMNAMAPTCNR1NPSR1
SCHEMBL19973909 0.93 IDO1 (0.40) CHRM3LMNAMAPTCNR1NPSR1
SCHEMBL21189310 0.93 MAPT (0.40) CHRM3LMNAMAPTCNR1NPSR1
SCHEMBL21189385 0.92 CHRM3 (0.38) CHRM3LMNAMAPTCNR1NPSR1
SCHEMBL21189308 0.91 MAPT (0.49) LMNAMAPTCNR1NPSR1GPR35
SCHEMBL19973963 0.90 MCHR1 (0.40) CHRM3LMNAMAPTSMN1; SMN2MCHR1
SCHEMBL21189309 0.89 CHRM3 (0.39) CHRM3HDAC3HDAC1HDAC2LMNA
SCHEMBL21189382 0.88 KMT2A (0.39) CHRM3LMNAMAPTMCHR1CPT2
SCHEMBL19973622 0.88 CHRM1 (0.47) CHRM3HDAC1HDAC2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL19973889 0.87 CHRM1 (0.46) CHRM3HDAC1HDAC2SMN1; SMN2ALDH1A1

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 CHRM3 2581/4885HDAC3 66/4885HDAC1 226/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS CHRM3 2581/4885HDAC3 66/4885HDAC1 226/4885

“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.