SCHEMBL3837657

SCHEMBL3837657

C[C@H](c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP3A4 P08684 2/20 0.47
CYP3A5 P20815 2/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP13 P45452 1/20 0.44
S1PR2 O95136 1/20 0.44
ATM Q13315 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL660699 1.00 HTT (0.51) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL3837654 1.00 HTT (0.51) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL31023808 0.88 MGLL (0.55) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL26199223 0.86 ALDH1A1 (0.51) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL28327837 0.86 ALDH1A1 (0.51) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL21399850 0.86 ALDH1A1 (0.51) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL8115616 0.86 CYP2D6 (0.57) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL3805489 0.86 CYP2D6 (0.57) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL16903907 0.84 CYP3A4 (0.45) HTTALDH1A1MAPTNPC1MAPK1
SCHEMBL28679081 0.84 ALDH1A1 (0.49) HTTALDH1A1MAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720868-B1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC (US) 2009-11-04 EP disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 HTT 2639/4885ALDH1A1 3231/4885MAPT 805/4885

“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.