SCHEMBL522762

SCHEMBL522762

NCC(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
IDO1 P14902 2/20 0.42
EPHX1 P07099 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.40
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TP53 P04637 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL31117977 0.95 EPHX1 (0.42) ALDH1A1EPHX1SLC6A2TAAR1MAOA
SCHEMBL31118120 0.91 EPHX1 (0.45) IDO1EPHX1TDP1SLC6A2TAAR1
SCHEMBL29048457 0.83 ALDH1A1 (0.45) ALDH1A1IDO1EPHX1EPHX2TAAR1
SCHEMBL9346838 0.83 EPHX1 (0.43) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL16191154 0.82 TDP1 (0.43) TDP1EPHX2SIGMAR1
SCHEMBL6949944 0.80 TDP1 (0.38) ALDH1A1IDO1EPHX1TDP1EPHX2
SCHEMBL7368102 0.78 EPHX1 (0.46) EPHX1TDP1SLC6A2TAAR1MAOA
SCHEMBL28897690 0.78 SIGMAR1 (0.43) TDP1EPHX2MAOASIGMAR1
SCHEMBL3289204 0.78 DPP4 (0.49) IDO1EPHX1TDP1EPHX2SLC6A2
SCHEMBL10716724 0.78 DPP4 (0.49) IDO1EPHX1TDP1EPHX2SLC6A2

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
CN-102659718-B Prepare the method for cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA N. V. (BE) 2015-11-25 CN disclosed
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-11-08 US disclosed
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-02-02 US disclosed
EP-2404911-A1 Novel processes for the preparation of piperazinyl and diazapanyl benzamide derivatives Janssen Pharmaceutica NV (BE) 2012-01-11 EP disclosed
US-8063206-B2 Processes for the preparation of cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-11-22 US disclosed
US-20100286391-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-11-11 US disclosed
US-7795426-B2 Processes for the preparation of cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-20100197689-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-08-05 US disclosed
US-7728129-B2 Processes for the preparation of piperazinyl and diazapanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-06-01 US disclosed
EP-1951699-A2 PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
US-20070197508-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US disclosed
WO-2007053386-A2 PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 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 (6 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-20100286391-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 ALDH1A1 1730/4885IDO1 464/4885EPHX1 285/4885
US-20070197508-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES HRH2, HRH4, HRH1 ALDH1A1 2354/4885IDO1 1386/4885EPHX1 632/4885
US-20100197689-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES HRH2, HRH4, HRH1 ALDH1A1 2354/4885IDO1 1386/4885EPHX1 632/4885
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 ALDH1A1 1730/4885IDO1 464/4885EPHX1 285/4885
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 ALDH1A1 1730/4885IDO1 464/4885EPHX1 285/4885
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 ALDH1A1 1730/4885IDO1 464/4885EPHX1 285/4885

“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.