SCHEMBL6294945

SCHEMBL6294945

CN(C)CCCOc1ccc(-c2cc3ccccc3n2S(C)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.67
LSS P48449 1/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
NR1H2 P55055 1/20 0.44
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
CXCR1 P25024 1/20 0.42
PTPN1 P18031 1/20 0.42
CACNA1B Q00975 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TNKS O95271 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BPTF Q12830 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL6295031 0.86 HRH3 (0.64) HRH3DRD2DRD3NR1H2PTPN1
SCHEMBL4058799 0.81 HRH3 (0.85) HRH3DRD3CXCR1ALDH1A1
SCHEMBL4061699 0.81 HRH3 (1.00) HRH3
SCHEMBL25455021 0.79 CA12 (0.47) HRH3LSSDRD2DRD3FGFR1
SCHEMBL6295109 0.76 HRH3 (0.58) HRH3NR1H2SMN1; SMN2CA12CA2
SCHEMBL4063701 0.76 HRH3 (0.68) HRH3NR1H2
SCHEMBL28111302 0.76 KMT2A (0.56) HRH3KDM4EALDH1A1CA12CA2
SCHEMBL25454996 0.74 CA12 (0.47) HRH3LSSFGFR1SRCKDM4E
SCHEMBL4065720 0.73 HRH3 (0.53) HRH3NR1H2KDM4EALDH1A1CA12
SCHEMBL25455010 0.73 LSS (0.49) HRH3LSSDRD2DRD3FGFR1

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
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
EP-1268421-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US disclosed
WO-2001074773-A2 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC HRH3 1173/4885LSS 212/4885DRD2 736/4885

“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.