SCHEMBL19128015

SCHEMBL19128015

COC(=O)c1nn(C)c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.45
PLAU P00749 4/20 0.45
F2 P00734 3/20 0.45
SSTR4 P31391 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4C Q9H3R0 1/20 0.41
GRM4 Q14833 1/20 0.41
MAP2K4 P45985 1/20 0.41
HTR3A P46098 1/20 0.41
CTRB1 P17538 1/20 0.40
PARP1 P09874 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL20646913 0.83 L3MBTL1 (0.44) SSTR4KDM4EL3MBTL1KDM4CGRM4
SCHEMBL29805505 0.83 KDM4C (0.49) SSTR4KDM4EKDM4CGRM4HTR3A
SCHEMBL30258337 0.82 ELANE (0.54) ELANEPLAUF2KDM4EL3MBTL1
SCHEMBL498049 0.82 ELANE (0.54) ELANEPLAUF2KDM4EL3MBTL1
SCHEMBL31429419 0.82 MAP3K14 (0.44) ELANESSTR4KDM4EKDM4CGRM4
SCHEMBL22506623 0.82 ELANE (0.41) ELANEPLAUF2KDM4EL3MBTL1
SCHEMBL15093813 0.82 MAP3K14 (0.44) ELANESSTR4KDM4EKDM4CGRM4
SCHEMBL30599793 0.82 ELANE (0.41) ELANEPLAUF2KDM4EL3MBTL1
SCHEMBL19128146 0.82 ELANE (0.42) ELANEPLAUF2SSTR4KDM4E
SCHEMBL2139237 0.82 CFTR (0.49) ELANEPLAUF2KDM4EHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
CN-108699038-B Spirocyclic heptane salicylamides and related compounds as Rock inhibitors 百时美施贵宝公司 2021-04-16 CN disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
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-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-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
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 US disclosed
EP-3402790-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-11-21 EP disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 WO disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 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 (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 ELANE 3180/4885PLAU 3421/4885F2 3095/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ELANE 3181/4885PLAU 3350/4885F2 2888/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA ELANE 3181/4885PLAU 3350/4885F2 2888/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ELANE 3180/4885PLAU 3421/4885F2 3095/4885

“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.