SCHEMBL6715832

SCHEMBL6715832

O=C1Cc2ccccc2N1CCN1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.63
HTR7 P34969 9/20 0.63
HRH4 Q9H3N8 1/20 0.55
DRD2 P14416 4/20 0.53
DRD5 P21918 3/20 0.53
DRD3 P35462 3/20 0.53
DRD4 P21917 1/20 0.52
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL6715989 0.90 DRD2 (0.59) HTR1AHTR7HRH4DRD2DRD3
SCHEMBL6711688 0.89 HRH4 (0.52) HTR1AHTR7HRH4DRD2DRD3
SCHEMBL6715613 0.88 HTR1A (0.49) HTR1AHTR7HRH4DRD2DRD5
SCHEMBL7084667 0.88 HRH4 (0.51) HTR1AHTR7HRH4DRD2DRD3
SCHEMBL7087322 0.88 HRH4 (0.51) HTR1AHTR7HRH4DRD2DRD3
SCHEMBL6977709 0.84 GRIN1 (0.66) HTR1AHTR7DRD2DRD3DRD4
SCHEMBL6973851 0.84 DRD2 (0.59) HTR1AHRH4DRD2DRD3DRD4
SCHEMBL7085853 0.83 HRH4 (0.55) HTR1AHTR7HRH4DRD3HTR1D
SCHEMBL6978625 0.83 GRIN1 (0.58) HTR1AHTR7HRH4DRD2DRD3
Hydrochloric Acid SCHEMBL6711485 0.83 DRD2 (0.57) HTR1AHRH4DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138203-A1 Bicyclic lactams and sulfonamides with 5-ht1a -affinity and use thereof for preventing and treating cerebral ischaemia STEINER GERD 2004-07-15 US disclosed
EP-1296954-A1 BICYCLIC LACTAMS AND SULFONAMIDES WITH 5-HT1A-AFFINITY AND USE THEREOF FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA Abbott GmbH & Co. KG (DE) 2003-04-02 EP disclosed
WO-2002002529-A1 BICYCLIC LACTAMS AND SULFONAMIDES WITH 5-HT1A-AFFINITY AND USE THEREOF FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA ABBOTT GMBH & CO. KG (DE) 2002-01-10 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-20040138203-A1 Bicyclic lactams and sulfonamides with 5-ht1a -affinity and use thereof for preventing and treating cerebral ischaemia HTR1A, HTR5A, HTR2C HTR1A 1/4885HTR7 13/4885HRH4 937/4885

“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.