SCHEMBL15979349

SCHEMBL15979349

CC(C)N[C@H](C)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.57
▸ MMP9 P14780 1/20 0.54
▸ CYP2D6 P10635 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ATM Q13315 1/20 0.44
▸ PDE2A O00408 1/20 0.43
▸ SLC6A2 P23975 6/20 0.42
▸ SLC6A4 P31645 6/20 0.42
▸ SLC6A3 Q01959 6/20 0.42
▸ KCNH2 Q12809 5/20 0.42
▸ CYP3A4 P08684 4/20 0.42

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
SCHEMBL23742756 1.00 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL12871846 0.92 UGT2B7 (0.61) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL15131117 0.86 UGT2B7 (0.55) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL6221889 0.86 UGT2B7 (0.55) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL16179564 0.84 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL20032327 0.82 UGT2B7 (0.50) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL13804034 0.82 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL19286311 0.82 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL1320202 0.82 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A
SCHEMBL28276305 0.82 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961745-B1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 — — EP disclosed
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 — — US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 — — US disclosed
US-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 — — US disclosed
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 — — 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-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK UGT2B7 3358/4885MMP9 1239/4885CYP2D6 3093/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK UGT2B7 3358/4885MMP9 1239/4885CYP2D6 3093/4885

“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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