SCHEMBL9931333

SCHEMBL9931333

CCCOc1ccc(Br)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PDIA6 Q15084 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL6503962 0.92 SMN1; SMN2 (0.49) SMN1; SMN2PDIA6CA12CA1CA2
SCHEMBL7931164 0.90 SMN1; SMN2 (0.44) SMN1; SMN2PDIA6LMNAALOX15TSHR
SCHEMBL25405576 0.88 PDIA6 (0.51) SMN1; SMN2PDIA6LMNAALOX15TSHR
SCHEMBL8425634 0.87 NR5A1 (0.51) SMN1; SMN2PDIA6TSHRLTA4H
SCHEMBL25406440 0.86 PDIA6 (0.54) SMN1; SMN2PDIA6LMNAALOX15TSHR
SCHEMBL25407032 0.86 PDIA6 (0.54) SMN1; SMN2PDIA6LMNAALOX15TSHR
SCHEMBL25261232 0.85 SMN1; SMN2 (0.49) SMN1; SMN2PDIA6LMNAALOX15TSHR
SCHEMBL1539314 0.84 NQO1 (0.52) SMN1; SMN2LMNAALOX15TSHRMAPK1
SCHEMBL17669520 0.84 NCF1 (0.48) SMN1; SMN2PDIA6LMNAALOX15TSHR
SCHEMBL19897843 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PDIA6LMNAALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785690-B1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-07-13 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
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US 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
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-8765959-B2 Piperidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
WO-2013092976-A1 NEW PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 US disclosed
WO-2013079668-A1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 WO disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 US disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 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
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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 (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-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof P2RX5, PIR, P2RX4 SMN1; SMN2 3967/4885PTGS1 129/4885PTGS2 255/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 SMN1; SMN2 4388/4885PTGS1 155/4885PTGS2 247/4885
US-20130165444-A1 Piperidine Derivatives PPARD, FABP4, PLIN5 SMN1; SMN2 3625/4885PTGS1 1356/4885PTGS2 1761/4885

“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.