SCHEMBL7079421

SCHEMBL7079421

CC(CCl)Oc1cccc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.52
HTR1A P08908 9/20 0.50
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
ADRB3 P13945 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 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
SCHEMBL3790955 0.86 HTR1B (0.54) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL7084585 0.82 HTR1B (0.52) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL3794323 0.82 HTR1B (0.55) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL13309274 0.79 HTR1B (0.52) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL502401 0.79 HTR1B (0.52) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL8723087 0.79 HTR1A (0.55) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL9057087 0.78 HTR1A (0.49) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL15951727 0.76 HTR1A (0.51) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL9057962 0.76 RHEB (0.49) HTR1BHTR1AADRB2ADRB1CYP1A2
SCHEMBL13003014 0.76 HTR1A (0.50) HTR1BHTR1AADRB2ADRB1CYP1A2

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
EP-1349848-A2 ARYLOXY PIPERIDINYL INDOLES FOR TREATING DEPRESSION Wyeth (US) 2003-10-08 EP disclosed
US-6489342-B2 5-FLUORO-3-(1-(2-(1H-INDOL-4-YLOXY)ETHYL)-PIPERIDIN-4-YLMETHYL) -1H-INDOLE, FOR EXAMPLE; ACT AT THE 5-HT1A AUTORECEPTORS AND CONCOMITANTLY WITH THE 5-HT TRANSPORTER WYETH 2002-12-03 US disclosed
US-20020099078-A1 Aryloxy piperidinyl indoles for treating depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-25 US disclosed
WO-2002040465-A2 ARYLOXY PIPERIDINYL INDOLES FOR TREATING DEPRESSION WYETH (US) 2002-05-23 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-20020099078-A1 Aryloxy piperidinyl indoles for treating depression TPH2, TPH1, HTR2C HTR1B 8/4885HTR1A 4/4885ADRB2 47/4885

“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.