SCHEMBL17025341

SCHEMBL17025341

C[C@@H](O)C1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
NOTUM Q6P988 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR1D P28221 1/20 0.56
HTR2C P28335 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 3/20 0.55
THRB P10828 1/20 0.55
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.51
ALOX12 P18054 1/20 0.50
IGF1R P08069 1/20 0.50
CASR P41180 2/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL17025265 0.82 NOTUM (0.52) NOTUMHRH3
SCHEMBL11473788 0.81 ALDH1A1 (0.57) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL239283 0.80 HRH3 (0.58) ALDH1A1NOTUMHTR3EHTR3BHTR1D
SCHEMBL17754046 0.79 ALDH1A1 (0.59) ALDH1A1NOTUMHTR3EHTR3BHTR1D
SCHEMBL28226906 0.79 ALDH1A1 (0.77) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL1704801 0.79 ALDH1A1 (0.62) ALDH1A1NOTUMHTR3EHTR3BHTR1D
SCHEMBL10534422 0.78 LMNA (0.57) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL11914802 0.78 ALDH1A1 (0.60) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL17025363 0.78 NOTUM (0.55) ALDH1A1NOTUMHTR3EHTR3BHTR2C
Bromide SCHEMBL9310896 0.78 ALDH1A1 (0.60) ALDH1A1NOTUMHTR3EHTR3BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 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-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 ALDH1A1 379/4885NOTUM 4577/4885HTR3E 1755/4885

“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.