SCHEMBL5844673

SCHEMBL5844673

Fc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccccc34)CC1)CO2

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.69
SLC6A4 P31645 5/20 0.69
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
DRD2 P14416 5/20 0.52
HTR2A P28223 4/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL5844626 0.88 HTR1A (0.67) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628542 0.86 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5843988 0.86 HTR1A (0.63) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628786 0.86 HTR1A (0.69) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6629700 0.86 HTR1A (0.65) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6627811 0.85 HTR1A (0.68) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628881 0.85 HTR1A (0.61) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6626528 0.84 HTR1A (0.69) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6767324 0.84 HTR1A (0.71) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6333658 0.84 HTR1A (0.66) HTR1ASLC6A4KDM4ELMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559169-B2 For therapy of depression, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder attention deficit disorder,obsessive compulsive disorder, obesity, eating disorders, sexual dysfunction WYETH 2003-05-06 US claimed
US-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2002-12-19 US claimed
US-7041683-B2 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1, 4-benzodiozan WYETH (US) 2006-05-09 US disclosed
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2003-12-25 US disclosed
US-6559169-B2 For therapy of depression, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder attention deficit disorder,obsessive compulsive disorder, obesity, eating disorders, sexual dysfunction WYETH 2003-05-06 US disclosed
US-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2002-12-19 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-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 HTR1A 16/4885SLC6A4 185/4885KDM4E 1730/4885
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 HTR1A 16/4885SLC6A4 185/4885KDM4E 1730/4885

“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.