SCHEMBL14438320

SCHEMBL14438320

CC(C)NCc1cccc(OC(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.48
▸ KCNA5 P22460 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ KCNB1 Q14721 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ DAO P14920 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CASR P41180 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACACB O00763 1/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL8340724 0.83 MEP1B (0.50) MEP1BKCNA5KCNH2KCNB1DAO
SCHEMBL30471919 0.83 MEP1B (0.50) MEP1BKCNA5KCNH2KCNB1DAO
SCHEMBL13713688 0.83 CARM1 (0.49) KCNB1SLC2A1DAOROCK2ROCK1
SCHEMBL2954251 0.81 CASR (0.60) CASRMEN1KMT2AALDH1A1
SCHEMBL13766434 0.81 MEP1B (0.48) MEP1BKCNA5KCNH2KCNB1DAO
SCHEMBL22812809 0.80 MEP1B (0.50) MEP1BKCNA5KCNH2KCNB1DAO
SCHEMBL14438336 0.80 LMNA (0.46) LMNACASRMEN1KMT2AACACB
SCHEMBL13762381 0.79 MEP1B (0.47) MEP1BKCNA5KCNH2KCNB1DAO
SCHEMBL14438291 0.79 KDM4E (0.57) CASRMEN1KMT2AALDH1A1
SCHEMBL11794365 0.78 SLC2A1 (0.57) MEP1BSLC2A1LMNACASRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 — — US 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
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 — — 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 (3 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 MEP1B 1324/4885KCNA5 904/4885KCNH2 880/4885
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK MEP1B 2979/4885KCNA5 3845/4885KCNH2 3561/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK MEP1B 2979/4885KCNA5 3845/4885KCNH2 3561/4885

“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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