SCHEMBL5677229

SCHEMBL5677229

CON(C)C(=O)C1CC1c1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.45
KDM1A O60341 2/20 0.45
KDM1B Q8NB78 1/20 0.45
ACKR3 P25106 1/20 0.40
EPHX2 P34913 1/20 0.39
FFAR1 O14842 1/20 0.37
HTR2A P28223 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
DPP4 P27487 1/20 0.35
HCRTR2 O43614 1/20 0.35
MCL1 Q07820 2/20 0.34

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
SCHEMBL31742325 0.87 EPHX2 (0.38) GPR88ACKR3EPHX2HTR2AMEN1
SCHEMBL924316 0.87 EPHX2 (0.38) GPR88ACKR3EPHX2HTR2AMEN1
SCHEMBL31742326 0.85 EPHX2 (0.37) GPR88ACKR3EPHX2HTR2AMCL1
SCHEMBL31742335 0.85 EPHX2 (0.37) GPR88ACKR3EPHX2HTR2AMCL1
SCHEMBL16585394 0.84 HTR2A (0.39) GPR88KDM1AACKR3EPHX2HTR2A
SCHEMBL16585393 0.84 HTR2A (0.39) GPR88KDM1AACKR3EPHX2HTR2A
SCHEMBL15806707 0.83 GPR88 (0.45) GPR88KDM1AKDM1BEPHX2MEN1
SCHEMBL5679527 0.83 GPR88 (0.45) GPR88KDM1AKDM1BEPHX2MEN1
SCHEMBL15797855 0.83 GPR88 (0.45) GPR88KDM1AKDM1BEPHX2MEN1
SCHEMBL5683647 0.80 EPHX2 (0.52) GPR88EPHX2MCL1

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-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 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-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 GPR88 604/4885KDM1A 441/4885KDM1B 557/4885

“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.