SCHEMBL9932241

SCHEMBL9932241

C[C@H](NC(=O)N(C)C)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.54
ACACB O00763 3/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL9932242 1.00 SMN1; SMN2 (0.57) SMN1; SMN2POLBACACBALDH1A1LMNA
SCHEMBL15022944 0.84 ACACB (0.55) ACACBALDH1A1LMNAKMT2A
SCHEMBL15022946 0.84 ACACB (0.55) ACACBALDH1A1LMNAKMT2A
SCHEMBL27587682 0.81 HSD17B10 (0.56) SMN1; SMN2POLBACACBALDH1A1LMNA
SCHEMBL14097766 0.81 HSD17B10 (0.56) SMN1; SMN2POLBACACBALDH1A1LMNA
SCHEMBL5473681 0.81 SMN1; SMN2 (0.64) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL2007222 0.79 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL255663 0.79 CYP1A2 (0.71) SMN1; SMN2POLBACACBALDH1A1LMNA
SCHEMBL3985690 0.79 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1LMNACYP1A2
SCHEMBL619526 0.79 SMN1; SMN2 (0.67) SMN1; SMN2POLBALDH1A1LMNACYP1A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797885-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-08-10 EP disclosed
EP-2794587-B1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
EP-2794587-B1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
EP-2797885-A1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2014-11-05 EP disclosed
US-8765959-B2 Piperidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765959-B2 Piperidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8530461-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 US disclosed
WO-2013098373-A1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 WO disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 US disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 US disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 US disclosed
CN-103080087-A Piperidine derivatives and their use for the treatment of metabolic disorders BOEHRINGER INGELHEIM INT 2013-05-01 CN disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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 (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-20130172312-A1 Azetidine Derivatives GPR119, LIPE, LPL SMN1; SMN2 2984/4885POLB 4627/4885ACACB 870/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 SMN1; SMN2 4388/4885POLB 2247/4885ACACB 2721/4885
US-20130165444-A1 Piperidine Derivatives PPARD, FABP4, PLIN5 SMN1; SMN2 3625/4885POLB 1543/4885ACACB 74/4885

“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.