SCHEMBL4928062

SCHEMBL4928062

O=C(c1ccnc(N2CCC3(CC2)CCN(C2CCC2)CC3)c1)N1CC[C@@H]2CCCC[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MBTD1 Q05BQ5 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
CNR2 P34972 8/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41

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
SCHEMBL4284689 0.86 ADRA1A (0.54) HRH3MBTD1L3MBTL3ALDH1A1HPGD
SCHEMBL4293818 0.86 ADRA1A (0.54) HRH3MBTD1L3MBTL3ALDH1A1HPGD
SCHEMBL4289248 0.83 L3MBTL3 (0.55) HRH3MBTD1L3MBTL3CYP3A4F2
SCHEMBL4288333 0.83 L3MBTL3 (0.55) HRH3MBTD1L3MBTL3CYP3A4F2
SCHEMBL4433768 0.72 ADRA1A (0.57) HRH3MBTD1L3MBTL3ALDH1A1HPGD
SCHEMBL4130774 0.71 ALDH1A1 (0.59) HRH3MBTD1L3MBTL3ALDH1A1HPGD
SCHEMBL4140037 0.71 ALDH1A1 (0.59) HRH3MBTD1L3MBTL3ALDH1A1HPGD
SCHEMBL4123429 0.71 ADRA1A (0.64) HRH3L3MBTL3ALDH1A1HPGDHSD17B10
SCHEMBL4177089 0.70 HRH3 (0.53) PROKR1HRH3L3MBTL3
SCHEMBL22601547 0.70 SMN1; SMN2 (0.55) PROKR1CNR2ALDH1A1TSHRSMN1; 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 PROKR1 1332/4885HRH3 1/4885MBTD1 2720/4885

“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.