SCHEMBL280088

SCHEMBL280088

Cc1cccc(C(=O)NCCN2CCCC2)c1

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.72
NPSR1 Q6W5P4 1/20 0.68
CACNA1G O43497 2/20 0.63
SMYD2 Q9NRG4 1/20 0.59
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MITF O75030 1/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
ERN1 O75460 1/20 0.57
POLB P06746 1/20 0.56
RAD52 P43351 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL842621 0.99 HSD17B10 (0.70) HSD17B10NPSR1CACNA1GSMYD2KMT2A
SCHEMBL5482155 0.91 SMYD2 (0.68) HSD17B10NPSR1CACNA1GSMYD2KMT2A
SCHEMBL279958 0.88 CYP2C19 (0.72) HSD17B10ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10720723 0.86 HSD17B10 (0.68) HSD17B10SMYD2KMT2AMEN1NPC1
SCHEMBL12334148 0.84 NPSR1 (0.58) NPSR1CACNA1GSMYD2KMT2AMEN1
SCHEMBL4766997 0.83 CYP2C9 (0.57) NPSR1SMYD2KMT2AMEN1ALDH1A1
SCHEMBL4572856 0.83 CYP2C9 (0.57) NPSR1SMYD2KMT2AMEN1ALDH1A1
SCHEMBL4268373 0.83 MAPT (0.73) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL12057347 0.83 TP53BP1 (0.57) HSD17B10NPSR1SMYD2KMT2AMEN1
SCHEMBL12203378 0.83 MEN1 (0.76) HSD17B10NPSR1SMYD2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328067-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-05-03 US claimed
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-26 US claimed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2021-06-29 US disclosed
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2020-04-09 US disclosed
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2019-05-14 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-9512122-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors KAROS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-9328067-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-05-03 US disclosed
US-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2015-03-19 US disclosed
US-20140356760-A1 NITROGEN-CONTAINING CARBON ALLOY, METHOD FOR PRODUCING SAME, CARBON ALLOY CATALYST, AND FUEL CELL FUJIFILM CORPORATION (JP) 2014-12-04 US disclosed
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-26 US disclosed
US-8431713-B2 2-aminopyridine derivatives as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-04-30 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP 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 (9 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-20150080393-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HSD17B10 287/4885NPSR1 205/4885CACNA1G 2221/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HSD17B10 287/4885NPSR1 205/4885CACNA1G 2221/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HSD17B10 287/4885NPSR1 205/4885CACNA1G 2221/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL HSD17B10 4112/4885NPSR1 168/4885CACNA1G 3638/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HSD17B10 287/4885NPSR1 205/4885CACNA1G 2221/4885
US-20200109110-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HSD17B10 3237/4885NPSR1 34/4885CACNA1G 4720/4885
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 HSD17B10 3237/4885NPSR1 34/4885CACNA1G 4720/4885
US-10287243-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 HSD17B10 3237/4885NPSR1 34/4885CACNA1G 4720/4885
US-11046644-B2 Sulfur derivatives as chemokine receptor modulators CX3CR1, CXCR2, CCR2 HSD17B10 3237/4885NPSR1 34/4885CACNA1G 4720/4885

“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.