SCHEMBL20186941

SCHEMBL20186941

O=C(C1CC1)N1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
ALDH1A1 P00352 5/20 0.73
TSHR P16473 1/20 0.73
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
CHRNB2 P17787 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA4 P43681 1/20 0.60
CHRNB3 Q05901 1/20 0.60
CHRNA6 Q15825 1/20 0.60
LMNA P02545 1/20 0.59
HSD11B1 P28845 2/20 0.53
GRM5 P41594 1/20 0.52
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL3504308 1.00 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL19612780 1.00 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL16992039 1.00 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL18228450 1.00 HPGD (1.00) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL806748 0.97 HPGD (0.95) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL19658219 0.97 HPGD (0.95) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL3695372 0.92 ALDH1A1 (0.86) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL12714626 0.92 HPGD (0.86) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL2386976 0.92 ALDH1A1 (0.86) HPGDALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL1826063 0.92 ALDH1A1 (0.86) HPGDALDH1A1TSHRHTTSMN1; SMN2

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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 HPGD 87/4885ALDH1A1 1674/4885TSHR 4313/4885

“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.