SCHEMBL2274740

SCHEMBL2274740

Clc1cccc(Oc2cccn3nc(Br)nc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.45
HSD11B1 P28845 1/20 0.45
RHEB Q15382 3/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
LMNA P02545 1/20 0.37
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ERBB3 P21860 1/20 0.36
ERBB4 Q15303 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
SCHEMBL2272658 0.84 NUDT1 (0.48) NR1I2HSD11B1RHEBSLC6A4SLC6A2
SCHEMBL16280573 0.79 MAPT (0.41) CYP2C9CYP2C19LMNAJAK2JAK3
SCHEMBL2251839 0.72 JAK2 (0.50) JAK2JAK3
SCHEMBL30542929 0.71 RHEB (0.54) RHEBSLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL16890362 0.71 RHEB (0.54) RHEBSLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL20138688 0.70 CYP1A2 (0.47) RHEBCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL18952811 0.69 PSEN1 (0.41) NR1I2HSD11B1JAK2JAK3PTK2
SCHEMBL29628969 0.69 SLC6A4 (0.54) RHEBSLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL11817660 0.69 SLC6A4 (0.54) RHEBSLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL11814145 0.68 SLC6A4 (0.57) RHEBSLC6A4SLC6A2SLC6A3HTR1A

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-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 NR1I2 1922/4885HSD11B1 770/4885RHEB 3068/4885

“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.