SCHEMBL3616161

SCHEMBL3616161

CC(C)CC(N)c1ncc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 12/20 0.39
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL14152001 0.77 TAAR1 (0.40) AAK1TAAR1ALDH1A1TSHRMAPK1
SCHEMBL15254357 0.77 HTT (0.32) NPC1RAB9A
SCHEMBL18774902 0.77 TAAR1 (0.40) AAK1TAAR1ALDH1A1TSHRMAPK1
SCHEMBL20322898 0.76 KDM4E (0.35) NPC1RAB9AKDM4E
SCHEMBL3606368 0.73 RECQL (0.31) —
SCHEMBL10324293 0.72 S1PR1 (0.42) ALDH1A1
SCHEMBL30866882 0.72 HRH1 (0.37) TAAR1
SCHEMBL11089872 0.71 NPC1 (0.41) NPC1RAB9AKDM4E
SCHEMBL27875523 0.69 KDM4E (0.37) NPC1RAB9AKDM4E
SCHEMBL15260062 0.67 APLNR (0.41) NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 — — US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 — — EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 — — 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 AAK1 4535/4885NPC1 200/4885RAB9A 998/4885

“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.

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