SCHEMBL1248548

SCHEMBL1248548

Cc1nc2c(N3CCN(C(C)(C)C)CC3)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
HTR6 P50406 5/20 0.49
GNRHR P30968 11/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
BRD4 O60885 1/20 0.42
HTR7 P34969 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
SCHEMBL6637856 0.81 HTR6 (0.64) HTR1AHTR6DRD2DRD3HTR7
SCHEMBL1249685 0.79 HTR6 (0.51) HTR1AHTR6GNRHRDRD2DRD4
SCHEMBL10004541 0.79 PARP1 (0.55) HTR1AHTR6BRD4
SCHEMBL8687398 0.78 HTR1A (0.49) HTR1AHTR6GNRHRDRD2DRD4
SCHEMBL8687723 0.76 DRD4 (0.49) HTR1AHTR6DRD2DRD4DRD3
SCHEMBL8687607 0.76 HTR1A (0.48) HTR1AHTR6GNRHRDRD2DRD4
SCHEMBL8687612 0.75 HTR6 (0.61) HTR1AHTR6GNRHRDRD2DRD4
SCHEMBL23122944 0.69 HTR6 (0.58) HTR6DRD2DRD3BRD4
SCHEMBL8136086 0.69 ADRB1 (0.56) HTR7
SCHEMBL4889597 0.69 HTR6 (0.60) HTR6BRD4

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-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 US disclosed
EP-2285784-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth LLC (US) 2011-02-23 EP disclosed
WO-2010056644-A1 1- (ARYLSULFONYL) -4- (PI PERAZIN-I -YL) -IH-BENZ IMIDAZOLES AS δ-HYDROXYTRYPTAMINE- 6 LIGANDS WYETH LLC (US) 2010-05-20 WO disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 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-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR4 HTR1A 6/4885HTR6 1/4885GNRHR 2571/4885

“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.