SCHEMBL19973622

SCHEMBL19973622

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21)OCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.47
CHRM2 P08172 11/20 0.47
CHRM3 P20309 11/20 0.47
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 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
Hydrochloric Acid SCHEMBL19973889 0.99 CHRM1 (0.46) CHRM1CHRM2CHRM3MEN1ALDH1A1
SCHEMBL19973909 0.88 IDO1 (0.40) CHRM1CHRM2CHRM3MEN1ALDH1A1
SCHEMBL19973907 0.88 IDO1 (0.40) CHRM1CHRM2CHRM3MEN1ALDH1A1
SCHEMBL21189311 0.88 CHRM3 (0.40) CHRM1CHRM2CHRM3
SCHEMBL21189492 0.88 CHRM3 (0.40) CHRM3ALDH1A1SMN1; SMN2HDAC1HDAC2
SCHEMBL21189385 0.87 CHRM3 (0.38) CHRM1CHRM2CHRM3MEN1ALDH1A1
SCHEMBL21189191 0.86 ALDH1A1 (0.37) MEN1ALDH1A1KMT2ASMN1; SMN2HDAC1
SCHEMBL21189310 0.86 MAPT (0.40) CHRM1CHRM2CHRM3ALDH1A1SMN1; SMN2
SCHEMBL19973963 0.86 MCHR1 (0.40) CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL21189306 0.85 KMT2A (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2HDAC1

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 3 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
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO 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 CHRM1 3277/4885CHRM2 4309/4885CHRM3 2581/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS CHRM1 3277/4885CHRM2 4309/4885CHRM3 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.