SCHEMBL13648779

SCHEMBL13648779

CC(C)N1CCN(c2ccc3cccc(C(F)(F)F)c3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.58
HTR3A P46098 2/20 0.47
PIM1 P11309 1/20 0.45
GAA P10253 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
THPO P40225 1/20 0.38
HTR3D Q70Z44 1/20 0.38

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
Hydrochloric Acid SCHEMBL3973144 0.99 HRH3 (0.57) HRH3HTR3APIM1GAAKDM4E
SCHEMBL13648784 0.83 HRH3 (0.61) HRH3HTR3APIM1GAAKDM4E
Hydrochloric Acid SCHEMBL3970617 0.82 HRH3 (0.59) HRH3HTR3APIM1GAAKDM4E
SCHEMBL13648771 0.74 HRH3 (1.00) HRH3HTR3AKDM4EALDH1A1TDP1
SCHEMBL25803202 0.73 HRH3 (0.59) HRH3PDE10A
Hydrochloric Acid SCHEMBL3965630 0.73 HRH3 (0.97) HRH3HTR3AKDM4EALDH1A1TDP1
SCHEMBL13648783 0.72 HRH3 (0.54) HRH3HTR3APIM1KDM4EALDH1A1
SCHEMBL13898878 0.72 AKR1C3 (0.50) HRH3
SCHEMBL13648780 0.72 HRH3 (0.65) HRH3HTR3APIM1KDM4EALDH1A1
SCHEMBL16417277 0.71 HTR3A (0.51) HRH3HTR3AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 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 (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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885HTR3A 38/4885PIM1 4238/4885

“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.