SCHEMBL3558656

SCHEMBL3558656

O=C1c2cc(Br)ccc2CC2CN(Cc3ccccc3)CCN12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 3/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
FPR2 P25090 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL3558652 1.00 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
Trifluoroacetic Acid SCHEMBL3556703 0.92 DRD2 (0.41) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554991 0.91 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554987 0.91 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554004 0.87 HTR2A (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3553999 0.87 HTR2A (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3559619 0.86 HTR2A (0.53) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3558235 0.86 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3558239 0.86 DRD2 (0.47) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3559614 0.86 HTR2A (0.53) DRD2HTR2AHTR2CHTR2BSIGMAR1

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
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A DRD2 47/4885HTR2A 3/4885HTR2C 5/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B DRD2 45/4885HTR2A 4/4885HTR2C 6/4885

“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.