SCHEMBL4069650

SCHEMBL4069650

OC1(c2ccccc2Br)CCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
PDE7A Q13946 3/20 0.39
PDK2 Q15119 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PKM P14618 1/20 0.36
HDAC4 P56524 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23649271 0.96 OPRL1 (0.40) OPRL1OPRM1OPRD1OPRK1PDE7A
SCHEMBL11838166 0.94 PKM (0.41) OPRL1OPRM1OPRD1OPRK1PDE7A
SCHEMBL30062630 0.91 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1PDE7A
SCHEMBL23232266 0.91 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1PDE7A
SCHEMBL6847429 0.82 SIGMAR1 (0.57) OPRL1OPRM1OPRD1OPRK1PDK2
SCHEMBL19205451 0.79 ALDH1A1 (0.43) OPRL1OPRM1OPRD1OPRK1PDK2
SCHEMBL11303796 0.75 KDM1A (0.36) PDK2PKM
SCHEMBL20141372 0.75 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1
SCHEMBL15924497 0.74 OPRL1 (0.34) OPRL1OPRM1OPRD1OPRK1PKM
SCHEMBL17982827 0.74 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
CN-101068776-A As 5HT2AArylsulfonyl naphthalene derivatives as antagonists MERCH SHARP & DOHME LTD (GB) 2007-11-07 CN disclosed
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 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 (1 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A OPRL1 25/4885OPRM1 85/4885OPRD1 70/4885

“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.