SCHEMBL1966160

SCHEMBL1966160

CC1(C)C[C@]12C(=O)Nc1ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
AKR1B1 P15121 6/20 0.48
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.42
HTR7 P34969 2/20 0.42
PGR P06401 4/20 0.40
PLK4 O00444 2/20 0.39
AURKB Q96GD4 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1A1 P14550 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
SCHEMBL11032373 0.81 CYP1A2 (0.54) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1975494 0.79 CYP1A2 (0.44) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL2259304 0.79 PGR (0.59) CYP1A2MAPTCYP2C19KMT2AAKR1B1
Hydrochloric Acid SCHEMBL8493528 0.77 PGR (0.57) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1975293 0.77 CYP1A2 (0.45) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1972269 0.76 PGR (0.45) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1975857 0.76 PGR (0.45) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1972272 0.76 PGR (0.45) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL25313851 0.76 CYP1A2 (0.53) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL30132814 0.76 CYP1A2 (0.53) CYP1A2MAPTCYP2C19KMT2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (2 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 CYP1A2 163/4885MAPT 3298/4885CYP2C19 748/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 CYP1A2 157/4885MAPT 3247/4885CYP2C19 730/4885

“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.