SCHEMBL1735009

SCHEMBL1735009

C[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.66
RBP4 P02753 1/20 0.48
ROCK2 O75116 3/20 0.47
HTR2C P28335 6/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
ROCK1 Q13464 2/20 0.45
KDM4E B2RXH2 1/20 0.44
OGA O60502 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
ACACB O00763 1/20 0.43
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A7 Q99884 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41

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
SCHEMBL1735037 1.00 ADRB1 (0.66) ADRB1RBP4ROCK2HTR2CHTR2A
SCHEMBL230177 0.80 ADRB1 (1.00) ADRB1RBP4HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL17541669 0.79 ADRB1 (0.97) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL13677250 0.78 ADRB1 (0.55) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL13677241 0.78 ADRB1 (0.55) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL8354208 0.77 ADRB1 (0.78) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL14923154 0.77 ADRB1 (0.64) ADRB1RBP4HTR2CHTR2AHTR2B
SCHEMBL2244390 0.76 ALDH1A1 (0.53) ROCK2ROCK1KDM4E
SCHEMBL8358806 0.76 ALDH1A1 (0.53) ROCK2ROCK1KDM4E
SCHEMBL12356280 0.76 ALDH1A1 (0.53) ROCK2ROCK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 ADRB1 347/4885RBP4 509/4885ROCK2 3752/4885

“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.