SCHEMBL3606878

SCHEMBL3606878

CN1CCCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.39
HRH4 Q9H3N8 4/20 0.38
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
DGAT1 O75907 2/20 0.35

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
SCHEMBL29542633 0.95 HTR3A (0.42) HTR3AHRH4RAB9AL3MBTL1KMT2A
SCHEMBL578540 0.95 HTR3A (0.42) HTR3AHRH4RAB9AL3MBTL1KMT2A
SCHEMBL2068884 0.92 MAPT (0.41) MAPTKMT2AALDH1A1LMNAALOX12
SCHEMBL29378036 0.89 MAPT (0.44) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1484906 0.89 MAPT (0.44) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1330752 0.88 MAPT (0.46) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29377874 0.88 MAPT (0.46) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL17841506 0.84 MAPT (0.36) MAPTKMT2AALDH1A1LMNAALOX12
SCHEMBL23169203 0.81 HTR3A (0.42) HTR3AHRH4RAB9AL3MBTL1MAPT
SCHEMBL142528 0.81 ALDH1A1 (0.49) MAPTKMT2AALDH1A1LMNA

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-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US 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 HTR3A 1382/4885HRH4 745/4885RAB9A 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.