SCHEMBL3436778

SCHEMBL3436778

CN1CCC(C(=O)NCC2CCCO2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.71
HPGD P15428 1/20 0.67
ALDH1A1 P00352 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
TSHR P16473 2/20 0.60
ALOX12 P18054 1/20 0.59
GAA P10253 2/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 1/20 0.56
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL19254900 0.84 HPGD (0.65) PKMHPGDALDH1A1KDM4ETDP1
SCHEMBL19254902 0.84 HPGD (0.65) PKMHPGDALDH1A1KDM4ETDP1
SCHEMBL24494873 0.79 PKM (0.60) PKMHPGDALDH1A1KDM4ETDP1
SCHEMBL12733440 0.78 LMNA (0.57) PKMHPGDALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL21639935 0.77 HPGD (0.57) PKMHPGDALDH1A1KDM4ETDP1
SCHEMBL20069676 0.76 TSHR (0.52) PKMHPGDALDH1A1KDM4ETSHR
SCHEMBL1101625 0.74 SMN1; SMN2 (0.64) PKMHPGDALOX12SMN1; SMN2L3MBTL1
SCHEMBL12409354 0.74 SMN1; SMN2 (0.64) PKMHPGDALOX12SMN1; SMN2L3MBTL1
SCHEMBL12409226 0.74 SMN1; SMN2 (0.64) PKMHPGDALOX12SMN1; SMN2L3MBTL1
SCHEMBL21680230 0.74 HPGD (0.53) PKMHPGDALDH1A1KDM4ETDP1

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
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 PKM 2044/4885HPGD 1166/4885ALDH1A1 975/4885

“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.