SCHEMBL21947211

SCHEMBL21947211

CCCC(CCC)C(=O)c1cnn2cc(OC3CN(C(=O)OC)C3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.39
▸ NAMPT P43490 3/20 0.35
▸ EIF4A3 P38919 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ SMO Q99835 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ACACB O00763 2/20 0.33

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
SCHEMBL20647179 0.88 NAMPT (0.40) ROCK2NAMPTEIF4A3PDE2AKDM4E
SCHEMBL17452667 0.88 ROCK2 (0.39) ROCK2NAMPTEIF4A3PDE2AJAK1
SCHEMBL17454359 0.85 ROCK2 (0.40) ROCK2EIF4A3ALDH1A1JAK1JAK3
SCHEMBL17437914 0.84 ROCK2 (0.39) ROCK2NAMPTEIF4A3JAK1JAK3
SCHEMBL21947212 0.80 ROCK2 (0.39) ROCK2
SCHEMBL20229599 0.77 SMO (0.39) ROCK2EIF4A3PDE2ASMOKDM4E
SCHEMBL23888960 0.76 NAMPT (0.43) ROCK2NAMPTEIF4A3PDE2AJAK1
SCHEMBL24247709 0.74 EIF4A3 (0.37) ROCK2NAMPTEIF4A3
SCHEMBL23889176 0.73 P2RY12 (0.36) ROCK2EIF4A3ACACB
SCHEMBL20647178 0.71 HIF1A (0.38) ROCK2ACACB

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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 — — US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 — — 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA ROCK2 5/4885NAMPT 1390/4885EIF4A3 4527/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ROCK2 5/4885NAMPT 1390/4885EIF4A3 4527/4885

“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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