SCHEMBL10130730

SCHEMBL10130730

Cc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.66
ALDH1A1 P00352 2/20 0.66
PKM P14618 1/20 0.66
HRH3 Q9Y5N1 9/20 0.64
HPGD P15428 1/20 0.60
EPHX2 P34913 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL4557193 0.87 ALDH1A1 (0.84) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL10726712 0.87 ALDH1A1 (0.84) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL4919917 0.86 CHRNA7 (0.66) CHRNA7ALDH1A1PKMHRH3EPHX2
SCHEMBL4911957 0.86 CHRNA7 (0.66) CHRNA7ALDH1A1HRH3EPHX2MEN1
SCHEMBL21940834 0.86 CHRNA7 (0.66) CHRNA7ALDH1A1HRH3EPHX2MEN1
SCHEMBL23709723 0.85 ALDH1A1 (0.76) CHRNA7ALDH1A1HRH3EPHX2MEN1
SCHEMBL1409824 0.85 CHRNA7 (0.64) CHRNA7ALDH1A1HRH3EPHX2MEN1
SCHEMBL6634646 0.85 CHRNA7 (0.64) CHRNA7ALDH1A1HRH3EPHX2MEN1
SCHEMBL16809564 0.85 CHRNA7 (0.64) CHRNA7ALDH1A1HRH3HPGDEPHX2
SCHEMBL13503740 0.85 CHRNA7 (0.88) CHRNA7ALDH1A1HRH3HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
US-8258129-B2 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
EP-2471787-A1 New compounds Boehringer Ingelheim International GmbH (DE) 2012-07-04 EP disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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 (4 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-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 CHRNA7 4271/4885ALDH1A1 65/4885PKM 1271/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD CHRNA7 4285/4885ALDH1A1 2354/4885PKM 3848/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 CHRNA7 2390/4885ALDH1A1 295/4885PKM 1829/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 CHRNA7 3560/4885ALDH1A1 293/4885PKM 502/4885

“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.