SCHEMBL1133859

SCHEMBL1133859

N#CC1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.59
CYP2C19 P33261 4/20 0.59
CYP3A4 P08684 3/20 0.59
AKR1C3 P42330 3/20 0.59
AKR1C2 P52895 3/20 0.59
CYP2C9 P11712 3/20 0.59
PSEN1 P49768 2/20 0.59
PSEN2 P49810 2/20 0.59
APH1B Q8WW43 2/20 0.59
NCSTN Q92542 2/20 0.59
APH1A Q96BI3 2/20 0.59
PSENEN Q9NZ42 2/20 0.59
OPRM1 P35372 1/20 0.50
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
AKR1C1 Q04828 2/20 0.39
AHR P35869 3/20 0.39
OPRL1 P41146 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38

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
SCHEMBL4514618 0.82 CYP3A4 (0.40) APPCYP2C19CYP3A4AKR1C3AKR1C2
SCHEMBL19261796 0.82 OPRM1 (0.53) OPRM1SLC6A4SLC6A3OPRL1
SCHEMBL4515335 0.82 OPRM1 (0.41) APPCYP2C19CYP3A4CYP2C9OPRM1
SCHEMBL4503949 0.80 OPRM1 (0.47) APPCYP2C19CYP3A4AKR1C3AKR1C2
SCHEMBL4507377 0.80 APP (0.47) APPCYP2C19CYP3A4AKR1C3AKR1C2
SCHEMBL4826627 0.80 OPRM1 (0.71) OPRM1SLC6A4SLC6A3OPRL1
SCHEMBL4493375 0.80 APP (0.43) APPCYP2C19CYP3A4AKR1C3AKR1C2
SCHEMBL4503379 0.80 OPRM1 (0.51) APPCYP2C19CYP3A4AKR1C3AKR1C2
SCHEMBL12050459 0.78 APP (0.63) APPCYP2C19CYP3A4AKR1C3AKR1C2
SCHEMBL4504736 0.78 AKR1C3 (0.43) APPCYP2C19CYP3A4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076505-B2 Process of preparing derivatives of 1-(2-halobiphenyl-4-yl)-cyclopropanecarboxylic acid CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-13 US claimed
EP-2285765-A1 PROCESS OF PREPARING DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMACEUTICI S.p.A. (IT) 2011-02-23 EP claimed
WO-2009149797-A1 PROCESS OF PREPARING DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMACEUTICI S.P.A. (IT) 2009-12-17 WO claimed
US-20090312426-A1 PROCESS OF PREPARING DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMACEUTICI S.P.A. (IT) 2009-12-17 US claimed
EP-2133322-A1 Process of preparing derivatives of 1-(2-halobiphenyl-4-yl)-cyclopropanecarboxylic acid CHIESI FARMACEUTICI S.p.A. (IT) 2009-12-16 EP claimed
US-9056818-B2 Process for the preparation of derivatives of 1-(2-halobiphenyl-4-yl)-cyclopropanecarboxylic acid CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-16 US disclosed
EP-2462098-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMA SPA (IT) 2013-10-23 EP disclosed
US-8076505-B2 Process of preparing derivatives of 1-(2-halobiphenyl-4-yl)-cyclopropanecarboxylic acid CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-13 US disclosed
EP-2285765-A1 PROCESS OF PREPARING DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMACEUTICI S.p.A. (IT) 2011-02-23 EP disclosed
WO-2009149797-A1 PROCESS OF PREPARING DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMACEUTICI S.P.A. (IT) 2009-12-17 WO disclosed
US-20090312426-A1 PROCESS OF PREPARING DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CHIESI FARMACEUTICI S.P.A. (IT) 2009-12-17 US disclosed
EP-2133322-A1 Process of preparing derivatives of 1-(2-halobiphenyl-4-yl)-cyclopropanecarboxylic acid CHIESI FARMACEUTICI S.p.A. (IT) 2009-12-16 EP 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-20090312426-A1 PROCESS OF PREPARING DERIVATIVES OF 1-(2-HALOBIPHENYL-4-YL)-CYCLOPROPANECARBOXYLIC ACID CYP51A1, DHPS, CYP8B1 APP 4370/4885CYP2C19 18/4885CYP3A4 19/4885

“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.