SCHEMBL20646968

SCHEMBL20646968

CCCCCc1cccc(C(=O)NCCN(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SPHK2 Q9NRA0 1/20 0.51
▸ SPHK1 Q9NYA1 1/20 0.51
▸ TMEM97 Q5BJF2 4/20 0.50
▸ SIGMAR1 Q99720 4/20 0.50
▸ THRA P10827 3/20 0.50
▸ THRB P10828 3/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ NAAA Q02083 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL23889139 0.91 SMN1; SMN2 (0.54) SMN1; SMN2TMEM97SIGMAR1PARP1MRGPRX4
SCHEMBL12333454 0.85 USP2 (0.55) SMN1; SMN2TMEM97SIGMAR1PARP1MRGPRX4
SCHEMBL20810289 0.82 SPHK2 (0.59) SMN1; SMN2SPHK2SPHK1PARP1NAAA
SCHEMBL5256827 0.82 SMN1; SMN2 (0.68) SMN1; SMN2SPHK2SPHK1MRGPRX4NAAA
SCHEMBL5256832 0.82 SMN1; SMN2 (0.68) SMN1; SMN2SPHK2SPHK1TMEM97SIGMAR1
SCHEMBL5109753 0.81 LOXL2 (0.54) SMN1; SMN2TMEM97SIGMAR1PARP1MRGPRX4
SCHEMBL3061004 0.81 SMN1; SMN2 (0.59) SMN1; SMN2SPHK2SPHK1MRGPRX4NAAA
SCHEMBL22754705 0.80 PARP1 (0.54) SMN1; SMN2TMEM97SIGMAR1PARP1MRGPRX4
SCHEMBL18970272 0.80 SMN1; SMN2 (0.70) SMN1; SMN2TMEM97SIGMAR1MRGPRX4NAAA
SCHEMBL12055875 0.80 SIGMAR1 (0.59) SMN1; SMN2TMEM97SIGMAR1PARP1ALDH1A1

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-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
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 — — US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA SMN1; SMN2 823/4885SPHK2 47/4885SPHK1 20/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA SMN1; SMN2 827/4885SPHK2 41/4885SPHK1 19/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA SMN1; SMN2 827/4885SPHK2 41/4885SPHK1 19/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA SMN1; SMN2 823/4885SPHK2 47/4885SPHK1 20/4885

“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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