SCHEMBL16830867

SCHEMBL16830867

CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PRKCZ Q05513 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRNA7 P36544 1/20 0.42
ALPL P05186 1/20 0.41
TARBP2 Q15633 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL16830986 0.83 GABRA2 (0.48) GABRA2GABRB2TP53MDM2MAPT
SCHEMBL15497048 0.78 F2RL3 (0.53) GABRA2GABRB2TP53MDM2ALDH1A1
SCHEMBL5731755 0.77 KDM4E (0.48) GABRA2GABRB2MAPTALDH1A1KDM4E
SCHEMBL15497057 0.74 KDM4E (0.51) GABRA2GABRB2TP53MAPTALDH1A1
SCHEMBL5731708 0.73 ALDH1A1 (0.50) GABRA2GABRB2TP53MAPTALDH1A1
SCHEMBL6092648 0.73 KDM4E (0.47) GABRA2GABRB2TP53MAPTALDH1A1
SCHEMBL16830897 0.72 SMN1; SMN2 (0.46) GABRA2GABRB2TP53MDM2MAPT
SCHEMBL16828429 0.72 GABRA2 (0.44) GABRA2GABRB2TP53MDM2MAPT
SCHEMBL21776525 0.72 SMN1; SMN2 (0.41) GABRA2GABRB2TP53MAPTALDH1A1
SCHEMBL1748432 0.71 F2RL3 (0.46) GABRA2GABRB2TP53MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083597-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS GRUENENTHAL GMBH (DE) 2017-11-22 EP disclosed
EP-3083597-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS GRUENENTHAL GMBH (DE) 2017-11-22 EP disclosed
EP-3083597-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2016-10-26 EP disclosed
US-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III GRUENENTHAL GMBH (DE) 2016-10-06 US disclosed
US-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III GRUENENTHAL GMBH (DE) 2016-10-06 US disclosed
WO-2015090603-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2015-06-25 WO disclosed
WO-2015090603-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2015-06-25 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 (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-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III TRPV1, CACNA1B, CACNA1I GABRA2 248/4885GABRB2 192/4885TP53 4366/4885

“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.