SCHEMBL12832375

SCHEMBL12832375

CCOc1cc(N)c(I)cc1C(=O)NCC1CN(CC2CCNCC2)CCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B P18089 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ HTR2B P41595 2/20 0.56
▸ KCNH2 Q12809 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ HTR4 Q13639 6/20 0.51
▸ ACHE P22303 6/20 0.51
▸ DRD2 P14416 2/20 0.41

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
SCHEMBL12832589 0.91 DRD3 (0.56) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL1502064 0.90 DRD3 (0.69) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL15827618 0.90 DRD3 (0.69) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL1501933 0.90 DRD3 (0.69) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL12832370 0.86 KCNH2 (0.51) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL12832592 0.84 KCNH2 (0.49) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL1501986 0.82 HTR4 (0.68) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL1501983 0.82 HTR4 (0.68) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL1502213 0.81 DRD3 (0.69) ADRA2BSLC6A4DRD3HTR2BKCNH2
SCHEMBL1502054 0.80 KCNH2 (0.66) ADRA2BSLC6A4DRD3HTR2BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906510-B2 Amide derivative and pharmaceutical composition containing the same Dainippon Sumito Pharma Co., Ltd. (JP) 2011-03-15 — — US disclosed
US-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 — — 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 (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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D ADRA2B 91/4885SLC6A4 89/4885DRD3 270/4885

“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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