SCHEMBL3600208

SCHEMBL3600208

c1ccc2c(c1)NCC1CCCC21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
NOS2 P35228 5/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HTR2C P28335 1/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
PRCP P42785 1/20 0.33
PARP1 P09874 1/20 0.33
HTR5A P47898 1/20 0.33

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
SCHEMBL13438556 1.00 AR (0.40) ARNOS2LMNATSHRMEN1
SCHEMBL5661864 1.00 AR (0.40) ARNOS2LMNATSHRMEN1
SCHEMBL8266212 1.00 AR (0.40) ARNOS2LMNATSHRMEN1
SCHEMBL7252266 0.96 LMNA (0.41) ARNOS2LMNATSHRMEN1
SCHEMBL18925342 0.89 MEN1 (0.35) ARNOS2MEN1KMT2AGAA
SCHEMBL20750781 0.89 MEN1 (0.35) ARNOS2MEN1KMT2AGAA
SCHEMBL27709542 0.83 LMNA (0.39) NOS2LMNATSHRMEN1KMT2A
SCHEMBL30417082 0.82 CHRNB4 (0.39) LMNAMEN1KMT2AGAA
SCHEMBL17075140 0.81 PRCP (0.37) NOS2LMNATSHRHTR2CPRCP
SCHEMBL15187569 0.81 PRCP (0.40) NOS2LMNATSHRMEN1KMT2A

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-7671196-B2 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH LLC (US) 2010-03-02 US disclosed
US-7671196-B2 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH LLC (US) 2010-03-02 US disclosed
US-7671196-B2 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH LLC (US) 2010-03-02 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US disclosed
EP-1907390-A2 DIAZEPINOQUINOLINES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO Wyeth a Corporation of the State of Delaware (US) 2008-04-09 EP disclosed
WO-2007016029-A2 DIAZEPINOQUINOLINES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2007-02-08 WO disclosed
WO-2007016029-A2 DIAZEPINOQUINOLINES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2007-02-08 WO disclosed
US-20070027142-A1 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH (US) 2007-02-01 US disclosed
US-20070027142-A1 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH (US) 2007-02-01 US disclosed
US-20070027142-A1 Diazepinoquinolines, synthesis thereof, and intermediates thereto WYETH (US) 2007-02-01 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 (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-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 AR 2916/4885NOS2 483/4885LMNA 1965/4885
US-20070027142-A1 Diazepinoquinolines, synthesis thereof, and intermediates thereto HTR2C, HTR3B, HTR2A AR 1333/4885NOS2 414/4885LMNA 1554/4885

“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.