SCHEMBL855333

SCHEMBL855333

Cn1c(CCC(=O)O)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 1.00
TSHR P16473 1/20 0.61
RECQL P46063 2/20 0.59
ALDH1A1 P00352 2/20 0.59
PIN1 Q13526 2/20 0.59
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PDE10A Q9Y233 1/20 0.55

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
Hydrochloric Acid SCHEMBL3515336 0.98 HDAC6 (0.97) HDAC6TSHRRECQLALDH1A1PIN1
SCHEMBL16776720 0.91 HDAC6 (0.83) HDAC6TSHRRECQLALDH1A1KMT2A
SCHEMBL29376463 0.91 HDAC6 (0.83) HDAC6TSHRRECQLALDH1A1KMT2A
SCHEMBL5204686 0.86 HDAC6 (0.76) HDAC6TSHRRECQLALDH1A1LMNA
SCHEMBL17933571 0.84 HDAC6 (0.72) HDAC6TSHRRECQLALDH1A1KMT2A
SCHEMBL8234216 0.84 HDAC6 (0.72) HDAC6TSHRRECQLALDH1A1KDM4E
SCHEMBL8571808 0.84 HDAC6 (0.72) HDAC6TSHRRECQLALDH1A1LMNA
SCHEMBL18381424 0.82 TSHR (0.76) HDAC6TSHRRECQLALDH1A1GAA
SCHEMBL17531745 0.81 HDAC6 (0.68) HDAC6ALDH1A1PIN1KMT2AMEN1
SCHEMBL11428310 0.81 HDAC6 (1.00) HDAC6ALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-04 US disclosed
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20090118200-A1 Proline bis-amide orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
EP-1888563-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-02-20 EP disclosed
WO-2008008551-A2 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 WO disclosed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 WO disclosed
WO-2006127550-A1 PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-11-30 WO disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 HDAC6 3875/4885TSHR 767/4885RECQL 2802/4885
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R HDAC6 3686/4885TSHR 13/4885RECQL 3209/4885
US-20090118200-A1 Proline bis-amide orexin receptor antagonists HCRTR1, HCRTR2, NPSR1 HDAC6 628/4885TSHR 300/4885RECQL 4364/4885
US-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 HDAC6 650/4885TSHR 303/4885RECQL 4230/4885

“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.