SCHEMBL15869857

SCHEMBL15869857

CCOC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2C2CC2)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.49
▸ ELANE P08246 2/20 0.41
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MGLL Q99685 1/20 0.37

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
SCHEMBL15869856 0.83 FAAH (0.46) FAAHELANEGABRG2GABRB3GABRA5
SCHEMBL15884061 0.81 FAAH (0.44) FAAHELANEGABRG2GABRB3GABRA5
SCHEMBL15884071 0.81 FAAH (0.44) FAAHELANEGABRG2GABRB3GABRA5
SCHEMBL15862427 0.80 TP53 (0.42) —
SCHEMBL2429277 0.80 FAAH (0.60) FAAHELANEMMP2MMP13MMP14
SCHEMBL15862451 0.79 TP53 (0.39) KMT2A
SCHEMBL25210888 0.75 CA1 (0.42) FAAHELANEGABRG2GABRB3GABRA5
SCHEMBL30474038 0.75 CA1 (0.42) FAAHELANEGABRG2GABRB3GABRA5
SCHEMBL15884161 0.74 HTR2A (0.42) FAAHELANEGABRG2GABRB3GABRA5
SCHEMBL15884059 0.74 FAAH (0.41) FAAHELANEKMT2ASCN9AMMP2

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
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 — — US disclosed
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 — — US disclosed
WO-2014108336-A1 PYRAZOLYL-BASED CARBOXAMIDES II AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 — — WO disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 — — US disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 — — 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-20140194452-A1 Pyrazolyl-Based Carboxamides II AADAC, VDAC2, NLRP3 FAAH 1408/4885ELANE 1111/4885GABRG2 1679/4885

“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.

Send feedback