SCHEMBL4691460

SCHEMBL4691460

O=S1(=O)CCN(c2cnc(Br)c(Cl)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ HRH4 Q9H3N8 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ ADRA1A P35348 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ MTOR P42345 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL31558410 0.80 CNR2 (0.42) CNR2CNR1HRH4KDM4ENPC1
SCHEMBL4693638 0.78 KMT2A (0.40) CNR2HRH4KDM4ENPC1MAPT
SCHEMBL3056017 0.78 ALDH1A1 (0.54) KDM4EHTR3AMEN1ALDH1A1CYP1A2
SCHEMBL5519435 0.71 PTPN11 (0.49) CNR2CNR1HRH4HTR1AHTR2A
SCHEMBL14523362 0.69 CKS1B (0.58) MAPTMEN1KMT2APTPN11
SCHEMBL31370545 0.69 AKR1C3 (0.51) CNR2KDM4EMAPTNPSR1ADRA1A
SCHEMBL15205930 0.69 AKR1C3 (0.51) CNR2KDM4EMAPTNPSR1ADRA1A
SCHEMBL19145233 0.68 SLC6A9 (0.44) CNR2KDM4EADRA1AWNT3AMEN1
SCHEMBL20361965 0.68 TRPV1 (0.49) CNR2CNR1HRH4ACHE
SCHEMBL31541837 0.68 CNR2 (0.35) CNR2CNR1WNT3AMTORALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871762-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2008-01-02 — — EP disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — US disclosed
WO-2006113704-A2 SUBTITUTED HETEROARYL CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-10-26 — — 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885HRH4 163/4885

“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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