SCHEMBL10235814

SCHEMBL10235814

CCC[C@@H](O)c1cccc(CCCCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.48
▸ CYSLTR1 Q9Y271 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ DRD2 P14416 3/20 0.44
▸ OPRM1 P35372 3/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ OPRD1 P41143 3/20 0.44
▸ OPRK1 P41145 3/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ LPL P06858 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL10235791 1.00 CYSLTR2 (0.48) CYSLTR2CYSLTR1SIGMAR1TAAR1DRD2
SCHEMBL10235792 0.97 CYSLTR2 (0.45) CYSLTR2CYSLTR1SIGMAR1TAAR1DRD2
SCHEMBL10235793 0.94 LMNA (0.44) TAAR1DRD2OPRM1DRD3OPRD1
SCHEMBL10235993 0.91 LPL (0.53) HTR2ALPLLIPG
SCHEMBL10235709 0.89 CYP4F2 (0.44) CYSLTR2CYSLTR1TAAR1LPLLIPG
SCHEMBL10235749 0.89 LMNA (0.47) TAAR1DRD2OPRM1DRD3OPRD1
SCHEMBL10235712 0.88 CYP4F2 (0.43) CYSLTR2CYSLTR1LPLLIPG
SCHEMBL10235702 0.88 CYP4F2 (0.43) CYSLTR2CYSLTR1LPLLIPG
SCHEMBL10235695 0.88 CYP4F2 (0.44) SIGMAR1LPLLIPG
SCHEMBL10235704 0.86 GRIN2D (0.40) TAAR1OPRM1OPRD1OPRK1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 — — US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 — — US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 — — US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 — — US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 — — US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 — — US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 — — US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 — — US 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYSLTR2 556/4885CYSLTR1 668/4885SIGMAR1 1415/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYSLTR2 556/4885CYSLTR1 668/4885SIGMAR1 1415/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYSLTR2 556/4885CYSLTR1 668/4885SIGMAR1 1415/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT CYSLTR2 556/4885CYSLTR1 668/4885SIGMAR1 1415/4885

“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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