SCHEMBL2276464

SCHEMBL2276464

Nc1ncn(Cc2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HDAC1 Q13547 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
SLC2A1 P11166 1/20 0.45
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 1/20 0.42
DHFR P00374 2/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2273175 0.84 POLB (0.44) LMNAMAPTHDAC1HDAC6CYP11B1
SCHEMBL2275411 0.82 SMN1; SMN2 (0.44) LMNAMAPTHDAC1HDAC6CYP11B1
SCHEMBL2360983 0.81 CYP19A1 (0.47) MAPTHDAC1HDAC6CYP11B1CYP11B2
SCHEMBL2274602 0.80 L3MBTL1 (0.61) MAPTHDAC1HDAC6SLC2A1CYP11B1
SCHEMBL31201686 0.80 HDAC1 (0.49) LMNAMAPTHDAC1HDAC6SLC2A1
SCHEMBL28857469 0.79 HDAC1 (0.48) LMNAMAPTHDAC1HDAC6SLC2A1
SCHEMBL31272114 0.78 F2R (0.40) LMNAMAPTHDAC1HDAC6ALDH1A1
SCHEMBL2359438 0.78 KMT2A (0.49) MAPTHDAC1HDAC6CYP19A1KDM4E
SCHEMBL2361329 0.78 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1LOXL2
SCHEMBL2272782 0.77 L3MBTL1 (0.33) HDAC1HDAC6L3MBTL1

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 LMNA 453/4885MAPT 582/4885HDAC1 2258/4885

“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.