SCHEMBL22246783

SCHEMBL22246783

CCCCCCCc1ccc(C)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
SKP2 Q13309 1/20 0.49
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48
ADRB3 P13945 1/20 0.48
HTR2C P28335 1/20 0.48
HSPE1 P61604 1/20 0.48
HIF1A Q16665 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
SCHEMBL19391322 1.00 HTR2A (0.53) HTR2ASKP2ESR1ADRA2AADORA3
SCHEMBL20382591 0.92 SKP2 (0.56) HTR2ASKP2ALDH1A1CYP3A4HSD17B10
SCHEMBL16901668 0.86 RARB (0.65) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL7857328 0.85 DAO (0.45) HTR2ASKP2SLC6A2SLC6A4SLC6A3
SCHEMBL19309413 0.85 HTR2A (0.53) HTR2ASKP2ESR1ADRA2AADORA3
SCHEMBL18763940 0.85 HTR2A (0.57) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL19391325 0.85 HTR2A (0.57) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL26169733 0.85 HTR2A (0.57) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL14586544 0.84 RARB (0.62) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL9921243 0.84 DAO (0.50) SKP2SLC6A2SLC6A4SLC6A3TP53

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
WO-2020148325-A1 NEUTRAL LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-07-23 WO disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HTR2A 155/4885SKP2 4638/4885ESR1 770/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HTR2A 64/4885SKP2 3180/4885ESR1 769/4885

“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.