SCHEMBL2535844

SCHEMBL2535844

O=C(C1[CH]C1)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
ALDH1A1 P00352 7/20 0.48
HSD11B1 P28845 1/20 0.45
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
POLB P06746 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
SCHEMBL2541166 0.98 HPGD (0.50) HPGDALDH1A1HSD11B1TSHRLMNA
SCHEMBL2531710 0.95
SCHEMBL7553604 0.76 HPGD (0.44) HPGDALDH1A1HSD11B1TSHRLMNA
SCHEMBL2537401 0.74 HPGD (0.64) HPGDALDH1A1HSD11B1TSHRLMNA
SCHEMBL23280345 0.73 HPGD (0.38) HPGDALDH1A1HSD11B1TSHRLMNA
SCHEMBL3945909 0.73 HPGD (0.50) HPGDALDH1A1HSD11B1TSHRLMNA
SCHEMBL3954344 0.73 HPGD (0.50) HPGDALDH1A1HSD11B1TSHRLMNA
SCHEMBL19114768 0.72 HPGD (0.36) HPGDALDH1A1TSHRHTT
SCHEMBL2533320 0.71 HPGD (0.54) HPGDALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL2535133 0.71 HPGD (0.60) HPGDALDH1A1HSD11B1TSHRLMNA

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-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HPGD 477/4885ALDH1A1 3756/4885HSD11B1 216/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885ALDH1A1 2837/4885HSD11B1 271/4885

“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.