SCHEMBL14967871

SCHEMBL14967871

Oc1cc(F)c(N2CCC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 2/20 0.33
ESR1 P03372 6/20 0.32
ESR2 Q92731 5/20 0.32
FFAR4 Q5NUL3 2/20 0.32
MAOA P21397 1/20 0.31
MAPT P10636 2/20 0.31
BACE1 P56817 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL18876467 0.93 ALDH1A1 (0.38) TAAR1ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL17431865 0.81 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL26181606 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL20584251 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPT
SCHEMBL17422311 0.77 KDM4E (0.37) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL9832077 0.76 RAB9A (0.46) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL28244760 0.74 KDM4E (0.40) ALDH1A1SMN1; SMN2TSHRMAPTHPGD
SCHEMBL17423581 0.73 FFAR4 (0.34) FFAR4MAOA
SCHEMBL30407583 0.71 RAB9A (0.42) ALDH1A1SMN1; SMN2TSHRMAPTHPGD
SCHEMBL16250650 0.71 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CA12CA1CA9

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
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
EP-2780337-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS Merck Sharp & Dohme Corp. (US) 2014-09-24 EP disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR TAAR1 297/4885ALDH1A1 1827/4885SMN1; SMN2 2739/4885

“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.