SCHEMBL2187398

SCHEMBL2187398

O=C1c2ccccc2CC1NC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.47
BCHE P06276 1/20 0.45
METAP1 P53582 4/20 0.41
PTPN1 P18031 2/20 0.39
DUSP1 P28562 1/20 0.39
DUSP6 Q16828 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPRC P08575 1/20 0.38
PTPRF P10586 1/20 0.38
CDC25B P30305 1/20 0.38
CYP19A1 P11511 1/20 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
SCHEMBL6863573 0.77 BCHE (0.53) ACHEBCHEPTPN1DUSP1DUSP6
Hydrochloric Acid SCHEMBL6863833 0.75 BCHE (0.51) ACHEBCHEPTPN1DUSP1DUSP6
SCHEMBL3702992 0.75 BCHE (0.56) ACHEBCHEPTPN1DUSP1DUSP6
SCHEMBL8045729 0.72 ACHE (0.50) ACHEMETAP1NPC1RAB9ASMN1; SMN2
SCHEMBL12998132 0.70 ACHE (0.57) ACHEMETAP1CYP19A1LMNA
SCHEMBL5667503 0.70 ACHE (0.51) ACHEMETAP1NPC1RAB9ASMN1; SMN2
SCHEMBL8797208 0.68 ACHE (0.49) ACHEMETAP1NPC1RAB9ASMN1; SMN2
SCHEMBL16795631 0.68 ACHE (0.51) ACHEBCHEMETAP1CYP19A1
SCHEMBL10947753 0.68 ACHE (0.49) ACHEMETAP1NPC1RAB9ASMN1; SMN2
SCHEMBL10947764 0.68 ACHE (0.49) ACHEMETAP1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
EP-2342178-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF Sanofi-Aventis (FR) 2011-07-13 EP disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 WO disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 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 (2 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-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, PKD1 ACHE 3846/4885BCHE 2558/4885METAP1 164/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI ACHE 4243/4885BCHE 2942/4885METAP1 125/4885

“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.