SCHEMBL4306537

SCHEMBL4306537

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(N3CCN(C)CC3)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.50
DRD2 P14416 4/20 0.50
HTR1A P08908 3/20 0.50
HTR2A P28223 2/20 0.50
DRD3 P35462 3/20 0.41
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
DRD4 P21917 1/20 0.38
HTR2C P28335 1/20 0.38
BCHE P06276 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36

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
SCHEMBL13881666 0.85 HTR6 (0.49) HTR6HTR1AHTR2ALMNACYP2D6
SCHEMBL1413404 0.82 HTR6 (0.50) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL5698351 0.81 HTR6 (0.56) HTR6DRD2HTR1ADRD3MAPT
SCHEMBL5704933 0.79 CHRM2 (0.43) HTR6LMNAMAPT
SCHEMBL3596171 0.77 DRD2 (0.58) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL13881661 0.72 HTR2A (0.49) HTR2AKMT2AHTR2C
SCHEMBL25141967 0.71 NOTUM (0.46) HTR2ALMNACYP3A4CYP2D6HTR2C
SCHEMBL3709944 0.71 HTR2A (0.50) HTR2AHTR2C
SCHEMBL264536 0.71 GRM2 (0.36) HTR2AHTR2C
SCHEMBL1956177 0.71 HTR2C (0.43) HTR6HTR2AMAPTHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
EP-1401812-B1 4-PIPERAZINYLINDOLE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2006-06-28 EP disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 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 (2 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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A HTR6 1/4885DRD2 51/4885HTR1A 2/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A HTR6 1/4885DRD2 50/4885HTR1A 3/4885

“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.