SCHEMBL21284766

SCHEMBL21284766

CCc1nc(-c2cc(O)c3c(c2)CC[C@H]3N)no1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ CNR2 P34972 1/20 0.34
▸ SPHK2 Q9NRA0 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ GPER1 Q99527 1/20 0.32
▸ SMPD1 P17405 1/20 0.32
▸ ERCC1 P07992 1/20 0.32
▸ ERCC4 Q92889 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL21178600 0.78 ACACB (0.42) ACACBACACACNR2SPHK2RAB9A
Hydrochloric Acid SCHEMBL21178571 0.77 ACACB (0.41) ACACBACACACNR2SPHK2RAB9A
SCHEMBL21178614 0.76 BDKRB1 (0.43) HTTALDH1A1GPER1SMPD1
SCHEMBL21178348 0.74 SMPD1 (0.36) LMNAHTTALDH1A1SMPD1
SCHEMBL21270929 0.74 SMPD1 (0.36) LMNAHTTALDH1A1SMPD1
SCHEMBL21284838 0.71 ACACB (0.41) ACACBACACACNR2SPHK2RAB9A
Hydrochloric Acid SCHEMBL21179182 0.71 ACACB (0.40) ACACBACACACNR2SPHK2RAB9A
Hydrochloric Acid SCHEMBL30702248 0.71 ACACB (0.40) ACACBACACACNR2SPHK2RAB9A
Hydrochloric Acid SCHEMBL21179181 0.70 ACACB (0.39) ACACBACACACNR2SPHK2RAB9A
SCHEMBL24994215 0.69 ACACB (0.43) ACACBACACACNR2RAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119665-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2023-04-20 — — US disclosed
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-05-20 — — US disclosed
US-10836755-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2020-11-17 — — US disclosed
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2019-08-22 — — 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 (4 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-20230119665-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ACACB 3676/4885ACACA 3715/4885CNR2 4619/4885
US-10836755-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 ACACB 3676/4885ACACA 3715/4885CNR2 4619/4885
US-20210147399-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ACACB 3676/4885ACACA 3715/4885CNR2 4619/4885
US-20190256504-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 ACACB 3676/4885ACACA 3715/4885CNR2 4619/4885

“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.

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