SCHEMBL8077221

SCHEMBL8077221

OC(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTR2A P28223 4/20 0.59
HTR2C P28335 4/20 0.59
HTR7 P34969 4/20 0.59
IGF1R P08069 1/20 0.58
ADRA1A P35348 3/20 0.56
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
HTR6 P50406 1/20 0.55
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1B P35368 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL13024943 0.85 HTR1A (0.82) HTR1AMEN1KMT2AHTR2AHTR2C
SCHEMBL2883152 0.81 HTR1A (0.79) HTR1AMEN1KMT2AHTR2AHTR2C
SCHEMBL10393706 0.78 IGF1R (0.50) HTR1AHTR2AHTR2CHTR7IGF1R
SCHEMBL13024942 0.77 MEN1 (1.00) HTR1AMEN1KMT2AHTR2AHTR7
SCHEMBL13995622 0.77 SIGMAR1 (0.64) HTR1AMEN1KMT2AHTR2AHTR2C
SCHEMBL10485685 0.77 CACNA1G (0.61) HTR1AHTR2AHTR2CHTR7IGF1R
SCHEMBL8373462 0.75 SIGMAR1 (0.69) HTR1AHTR2CHTR7IGF1RSIGMAR1
SCHEMBL2095954 0.75 SIGMAR1 (0.69) HTR1AHTR2AHTR2CHTR7DRD2
SCHEMBL13024951 0.75 HTR1A (0.67) HTR1AMEN1KMT2ACYP1A2CYP2D6
SCHEMBL11465528 0.75 SIGMAR1 (0.76) HTR1AHTR2AHTR2CHTR7ADRA1A

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-20100286164-A1 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 2010-11-11 US disclosed
US-20100286164-A1 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 2010-11-11 US disclosed
WO-2009051661-A2 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2009-04-23 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-20100286164-A1 SUBSTITUTED ARYL ALKYLAMINO-OXY-ANALOGS AND USES THEREOF BACE1, BACE2, APP HTR1A 2118/4885MEN1 4520/4885KMT2A 2021/4885

“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.