SCHEMBL1928209

SCHEMBL1928209

Brc1ccc(OCC2CCCO2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.54
▸ NPC1 O15118 7/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL6072643 0.95 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL27037489 0.91 TDP1 (0.47) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL16561602 0.89 RAB9A (0.61) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL1710059 0.83 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL21051391 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL23054249 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL21051399 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL21051390 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL15650478 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL15651221 0.83 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 — — US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 — — US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 — — EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 — — US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 — — US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 — — US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 — — EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 — — 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 (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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 RAB9A 1662/4885NPC1 758/4885SMN1; SMN2 1573/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 RAB9A 2252/4885NPC1 350/4885SMN1; SMN2 4388/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 RAB9A 319/4885NPC1 424/4885SMN1; SMN2 1274/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 RAB9A 1662/4885NPC1 758/4885SMN1; SMN2 1573/4885

“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.

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