SCHEMBL3640366

SCHEMBL3640366

CC(CN)C(C)(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.50
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 1/20 0.42
KCNN4 O15554 1/20 0.42
SLC6A2 P23975 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 1/20 0.39
MAPK1 P28482 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 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
SCHEMBL999658 0.79 CYP1A2 (0.52) TAAR1CYP2D6CYP1A2KCNN4SLC6A2
SCHEMBL10346211 0.79 TAAR1 (0.47) TAAR1CYP2D6CYP1A2KCNN4SLC6A2
SCHEMBL13091889 0.77 CYP1A2 (0.50) TAAR1CYP2D6CYP1A2KCNN4ALDH1A1
SCHEMBL1751596 0.77 MAPK1 (0.46) TAAR1CYP2D6CYP1A2KCNN4SLC6A2
SCHEMBL29457704 0.74 CYP2D6 (0.63) TAAR1CYP2D6CYP1A2KCNN4SLC6A2
SCHEMBL14944876 0.74 CYP1A2 (0.42) TAAR1CYP2D6CYP1A2KCNN4ALDH1A1
SCHEMBL10346783 0.74 CYP2D6 (0.43) TAAR1CYP2D6CYP1A2KCNN4ALDH1A1
SCHEMBL11365454 0.72 TAAR1 (0.44) TAAR1CYP2D6CYP1A2KCNN4SLC6A2
SCHEMBL9817490 0.72 TAAR1 (0.44) TAAR1CYP2D6CYP1A2SLC6A2ALDH1A1
SCHEMBL9121840 0.72 TAAR1 (0.44) TAAR1CYP2D6CYP1A2SLC6A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed
US-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US disclosed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 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 (3 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-20030073685-A1 Novel use of phenylheteroalkylamine derivatives CYP1A1, CYP1A2, CYP2E1 TAAR1 767/4885CYP2D6 38/4885CYP1A2 2/4885
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 TAAR1 4730/4885CYP2D6 1318/4885CYP1A2 1030/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 TAAR1 4730/4885CYP2D6 1318/4885CYP1A2 1030/4885

“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.