SCHEMBL3288310

SCHEMBL3288310

CC1(C)[C@H](c2ccccc2)[C@@H]1C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.68
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 4/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SLC6A4 P31645 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL2393407 1.00 SLC9A1 (0.68) SLC9A1MAPTKMT2AKDM1AMAOA
SCHEMBL3288307 1.00 SLC9A1 (0.68) SLC9A1MAPTKMT2AKDM1AMAOA
Bicarbonate SCHEMBL3663569 0.93 SLC9A1 (0.60) SLC9A1MAPTKMT2AKDM1AMAOA
Bicarbonate SCHEMBL3663565 0.93 SLC9A1 (0.60) SLC9A1MAPTKMT2AKDM1AMAOA
Bicarbonate SCHEMBL3663566 0.93 SLC9A1 (0.60) SLC9A1MAPTKMT2AKDM1AMAOA
SCHEMBL18927360 0.84 SLC9A1 (0.62) SLC9A1MAPTKMT2ALMNACYP1A2
SCHEMBL16819920 0.84 SLC9A1 (0.62) SLC9A1MAPTKMT2ALMNACYP1A2
SCHEMBL3287837 0.84 SLC9A1 (0.62) SLC9A1MAPTKMT2ALMNACYP1A2
SCHEMBL3287845 0.84 SLC9A1 (0.62) SLC9A1MAPTKMT2ALMNACYP1A2
SCHEMBL3655655 0.84 SLC9A1 (0.62) SLC9A1MAPTKMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A SLC9A1 3094/4885MAPT 2449/4885KMT2A 2189/4885

“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.