SCHEMBL19902546

SCHEMBL19902546

O=C(N[C@H]1CC[C@H](c2n[nH]c(=O)c3ccccc32)CC1)N1Cc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.61
NAMPT P43490 6/20 0.46
POLB P06746 1/20 0.46
ROCK1 Q13464 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17452601 0.86 ROCK2 (0.57) ROCK2NAMPTPOLBROCK1NPC1
SCHEMBL19902337 0.82 NPC1 (0.57) ROCK2ROCK1NPC1RAB9A
SCHEMBL19902318 0.82 ROCK1 (0.55) ROCK2ROCK1NPC1RAB9A
SCHEMBL19902689 0.81 ROCK2 (0.46) ROCK2ROCK1NPC1RAB9A
SCHEMBL19902590 0.80 ROCK2 (0.53) ROCK2NAMPTROCK1NPC1RAB9A
SCHEMBL19902449 0.78 ROCK1 (0.59) ROCK2ROCK1NPC1RAB9A
SCHEMBL19902690 0.78 SMN1; SMN2 (0.44) ROCK2POLBROCK1NPC1RAB9A
SCHEMBL17452547 0.78 ROCK2 (0.51) ROCK2NAMPTROCK1
SCHEMBL19902473 0.78 NPC1 (0.46) ROCK2ROCK1NPC1RAB9A
SCHEMBL1789261 0.78 ATM (0.50) ROCK2POLBROCK1NPC1RAB9A

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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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 (1 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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 ROCK2 3/4885NAMPT 2376/4885POLB 4459/4885

“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.