SCHEMBL8255283

SCHEMBL8255283

NC(=O)c1ccc2c(c1)CCC2N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
AKR1C3 P42330 4/20 0.46
HSD11B1 P28845 1/20 0.41
ACHE P22303 1/20 0.40
HTR1B P28222 2/20 0.40
PARP1 P09874 2/20 0.39
HTR1D P28221 1/20 0.39
TSHR P16473 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 2/20 0.38

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
SCHEMBL12052350 1.00 KDM1A (0.48) KDM1AAKR1C3HSD11B1ACHEHTR1B
SCHEMBL8254274 1.00 KDM1A (0.48) KDM1AAKR1C3HSD11B1ACHEHTR1B
SCHEMBL15437821 0.90 KDM1A (0.46) KDM1AAKR1C3HSD11B1ACHEHTR1B
SCHEMBL13550403 0.86 ALDH1A1 (0.49) KDM1AAKR1C3ACHE
SCHEMBL8189658 0.86 ALDH1A1 (0.49) KDM1AAKR1C3ACHE
SCHEMBL785696 0.86 ALDH1A1 (0.49) KDM1AAKR1C3ACHE
SCHEMBL15630855 0.85 NPC1 (0.47) ACHEDRD3DRD2
Hydrochloric Acid SCHEMBL785877 0.85 ALDH1A1 (0.47) KDM1AAKR1C3ACHE
SCHEMBL8256333 0.81 AKR1C3 (0.48) KDM1AAKR1C3HSD11B1PARP1TSHR
SCHEMBL10164087 0.81 AKR1C3 (0.48) KDM1AAKR1C3HSD11B1PARP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2874993-B1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINECARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma AG (DE) 2016-08-24 EP disclosed
US-9387203-B2 Substituted aminoindane- and aminotetralinecarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-12 US disclosed
US-20150174113-A1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINECARBOXYLIC ACIDS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 US disclosed
CN-104703964-A Substituted aminoindane- and aminotetralincarboxylic acids and use thereof Bayer Pharma AG 2015-06-10 CN disclosed
EP-2874993-A1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINCARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-05-27 EP disclosed
WO-2014012935-A1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINCARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-23 WO disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 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 (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-20150174113-A1 SUBSTITUTED AMINOINDANE- AND AMINOTETRALINECARBOXYLIC ACIDS AND THE USE THEREOF AADAT, DDC, AASDHPPT KDM1A 3614/4885AKR1C3 989/4885HSD11B1 793/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 KDM1A 2508/4885AKR1C3 2288/4885HSD11B1 2052/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 KDM1A 2508/4885AKR1C3 2288/4885HSD11B1 2052/4885

“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.