SCHEMBL2440428

SCHEMBL2440428

c1ccc(CCCC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.60
SIGMAR1 Q99720 1/20 0.58
CCR5 P51681 1/20 0.54
EPHX2 P34913 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
EPHX1 P07099 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 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
SCHEMBL9133642 1.00 SLC18A3 (0.60) SLC18A3SIGMAR1CCR5EPHX2OPRM1
SCHEMBL7419921 1.00 SLC18A3 (0.60) SLC18A3SIGMAR1CCR5EPHX2OPRM1
SCHEMBL7103234 0.98 SLC18A3 (0.62) SLC18A3SIGMAR1CCR5OPRM1OPRD1
SCHEMBL6049169 0.94 SIGMAR1 (0.61) SLC18A3SIGMAR1CCR5EPHX2OPRM1
SCHEMBL5087578 0.92 SIGMAR1 (0.64) SLC18A3SIGMAR1CCR5EPHX2EPHX1
SCHEMBL11020642 0.92 SIGMAR1 (0.64) SLC18A3SIGMAR1CCR5EPHX2EPHX1
SCHEMBL7392307 0.92 SIGMAR1 (0.64) SLC18A3SIGMAR1CCR5EPHX2EPHX1
SCHEMBL11300310 0.92 SIGMAR1 (0.58) SLC18A3SIGMAR1CCR5OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL20702116 0.92 SLC18A3 (0.56) SLC18A3SIGMAR1CCR5OPRM1OPRD1
SCHEMBL18435050 0.90 SIGMAR1 (0.61) SLC18A3SIGMAR1CCR5OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors HAMILTON GREGORY S 2008-03-27 US claimed
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 EP claimed
EP-1666037-A2 Compositions for stimulating neurite growth Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP claimed
US-6943187-B2 Pyrrolidine derivative hair growth compositions and uses GPI NIL HOLDINGS, INC. (US) 2005-09-13 US claimed
US-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds AMGEN INC. 2004-09-23 US claimed
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 2004-03-11 US claimed
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses GLIAMED, INC. 2002-12-26 US claimed
US-6376517-B1 FOR TREATING VISION LOSS, PREVENTING VISION DEGENERATION, AND PROMOTING VISION REGENERATION (?NEOPSIS?) GPI NIL HOLDINGS, INC. 2002-04-23 US claimed
US-20010034362-A1 Pyrrolidine derivatives for vision and memory disorders GUILFORD PHARMACEUTICALS INC. (US) 2001-10-25 US claimed
US-6218423-B1 ADMINISTERING PYRROLIDINE DERIVATIVE FOR THERAPY OF NERVE-RELATED VISION DISORDER, IMPROVING VISION, TREATING MEMORY IMPAIRMENT, OR ENHANCING MEMORY PERFORMANCE IN ANIMAL GPI NIL HOLDINGS, INC. 2001-04-17 US claimed
US-6177455-B1 ADMINISTERING A NITROGEN-CONTAINING HETEROCYCLIC COMPOUND GPI NIL HOLDINGS, INC. 2001-01-23 US claimed
EP-0769006-B1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2000-11-08 EP claimed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP claimed
EP-0992492-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 2000-04-12 EP claimed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO claimed
US-5843960-A Inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1998-12-01 US claimed
US-5614547-A Small molecule inhibitors of rotamase enzyme GUILFORD PHARMACEUTICALS INC. (US) 1997-03-25 US claimed
WO-1996040633-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1996-12-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds GAP43, CHAT, MYOC SLC18A3 165/4885SIGMAR1 3620/4885CCR5 2230/4885
US-20040049046-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP14, PREP SLC18A3 1294/4885SIGMAR1 4024/4885CCR5 2594/4885
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF SLC18A3 4791/4885SIGMAR1 4811/4885CCR5 2368/4885
US-20010034362-A1 Pyrrolidine derivatives for vision and memory disorders PDE6D, PDE6C, PDE4D SLC18A3 382/4885SIGMAR1 3400/4885CCR5 1110/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 SLC18A3 1479/4885SIGMAR1 4550/4885CCR5 2281/4885

“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.