SCHEMBL3105504

SCHEMBL3105504

CCCCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A4 P31645 4/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SLC6A2 P23975 1/20 0.42
KCNH2 Q12809 4/20 0.42
HTR2A P28223 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PDE2A O00408 2/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2565147 0.89 CTSS (0.47) GABRA2GABRB2ALDH1A1MAPTSMN1; SMN2
SCHEMBL894411 0.83 TAAR1 (0.43) ALDH1A1SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL80803 0.83 SIRT2 (0.42) ALDH1A1SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL80680 0.83 TRPV1 (0.42) ALDH1A1SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL10050765 0.82 SLC6A4 (0.46) ALDH1A1SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL3322996 0.81 SLC6A4 (0.39) ALDH1A1SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL12601634 0.81 IDO1 (0.51) SMN1; SMN2PDE2AMEN1KMT2ADAO
SCHEMBL27675385 0.79 ESR1 (0.54) MAPTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL25090457 0.79 SLC6A4 (0.41) ALDH1A1SLC6A4SLC6A2KCNH2HTR2A
SCHEMBL14157106 0.79 TAAR1 (0.50) ALDH1A1SLC6A4SLC6A2KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999619-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-06-19 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
EP-2148878-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-03 EP disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 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-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 GABRA2 1187/4885GABRB2 1800/4885ALDH1A1 1457/4885

“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.