SCHEMBL3436629

SCHEMBL3436629

Cc1ccccc1N1CCCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.60
ADRB1 P08588 1/20 0.53
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PRKDC P78527 1/20 0.49
NCF1 P14598 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NSD2 O96028 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
SLC6A5 Q9Y345 1/20 0.46
SLC18A3 Q16572 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
CYP2A13 Q16696 1/20 0.45
BRD4 O60885 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
ADRA1D P25100 1/20 0.44

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
SCHEMBL1450530 0.93 AKR1C3 (0.68) AKR1C3ADRB1ALOX15HSD17B10PRKDC
Ammonia Solution, Strong SCHEMBL28721079 0.91 AKR1C3 (0.66) AKR1C3ADRB1ALOX15HSD17B10PRKDC
Boric Acid SCHEMBL6314068 0.86 AKR1C3 (0.65) AKR1C3ADRB1ALOX15HSD17B10PRKDC
SCHEMBL3436475 0.84 ADRA1B (0.58) AKR1C3LMNAALDH1A1GAACYP2A13
SCHEMBL329301 0.82 ADRB1 (0.67) AKR1C3ADRB1ALOX15LMNAL3MBTL1
SCHEMBL27961590 0.82 ADRB1 (0.67) AKR1C3ADRB1ALOX15LMNAL3MBTL1
SCHEMBL31468714 0.81 ADRB1 (0.64) AKR1C3ADRB1ALOX15LMNAL3MBTL1
Lithium SCHEMBL31448665 0.81 ADRB1 (0.64) AKR1C3ADRB1ALOX15LMNAL3MBTL1
Bromide SCHEMBL7300370 0.81 ADRB1 (0.64) AKR1C3ADRB1ALOX15LMNAL3MBTL1
SCHEMBL21065768 0.81 ADRB1 (0.64) AKR1C3ADRB1ALOX15LMNAL3MBTL1

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 4 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

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 AKR1C3 343/4885ADRB1 37/4885ALOX15 2950/4885

“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.