SCHEMBL3934411

SCHEMBL3934411

c1ccc2c(c1)NCCC21CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
BACE1 P56817 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PDE7A Q13946 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 2/20 0.32
HTR5A P47898 2/20 0.32
DRD2 P14416 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL15523144 0.92 KDM1A (0.51) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL397157 0.92 KDM1A (0.51) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL25422577 0.90 KDM1A (0.50) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL29384355 0.90 KDM1A (0.50) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL13209513 0.87 KDM1A (0.47) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL23508720 0.84 KDM1A (0.45) KDM1ATNKSTNKS2HTR2AHTR2C
SCHEMBL13209517 0.81 KDM1A (0.46) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL8842935 0.81 KDM1A (0.46) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL12084635 0.81 KDM1A (0.46) KDM1ABACE1MEN1KMT2AALDH1A1
SCHEMBL1012828 0.80 TNKS (0.44) KDM1ABACE1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2020-09-10 US disclosed
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2019-03-07 US disclosed
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2018-11-06 US disclosed
US-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
EP-2044057-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008000950-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2008-01-03 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 (5 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-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A KDM1A 3554/4885BACE1 4306/4885MEN1 2568/4885
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A KDM1A 3554/4885BACE1 4306/4885MEN1 2568/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 KDM1A 3913/4885BACE1 2595/4885MEN1 1706/4885
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives HTR2C, HTR2A, HTR5A KDM1A 3554/4885BACE1 4306/4885MEN1 2568/4885
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A KDM1A 3554/4885BACE1 4306/4885MEN1 2568/4885

“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.