SCHEMBL2998722

SCHEMBL2998722

CC1(C)CC2CC(C)(CN2C(=O)c2ccc(NC(=O)CN3CCC(c4ccccn4)CC3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.54
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
AVPR2 P30518 7/20 0.47
AVPR1A P37288 7/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2890001 0.88 AVPR1A (0.51) DRD4DRD2DRD3AVPR2AVPR1A
SCHEMBL2895059 0.86 THRB (0.57) DRD4DRD2DRD3AVPR2AVPR1A
SCHEMBL2895772 0.85 ALDH1A1 (0.57) DRD4DRD2DRD3AVPR2AVPR1A
SCHEMBL2897057 0.83 SMN1; SMN2 (0.55) AVPR2AVPR1AALDH1A1MEN1HTT
SCHEMBL2895054 0.83 ALDH1A1 (0.53) AVPR2AVPR1AALDH1A1MEN1HTT
SCHEMBL14534419 0.83 ALDH1A1 (0.53) AVPR2AVPR1AALDH1A1MEN1HTT
SCHEMBL2895595 0.83 ALDH1A1 (0.56) AVPR2AVPR1AALDH1A1MEN1HTT
SCHEMBL2895118 0.83 ALDH1A1 (0.56) AVPR2AVPR1AALDH1A1MEN1HTT
SCHEMBL2896930 0.82 ALDH1A1 (0.52) AVPR2AVPR1AALDH1A1MEN1HTT
SCHEMBL2897329 0.82 ALDH1A1 (0.52) AVPR2AVPR1AALDH1A1MEN1HTT

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-20100120743-A1 11Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-13 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-20100120743-A1 11Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HSD11B1, HSD3B1, HSD17B1 DRD4 2858/4885DRD2 2577/4885DRD3 2344/4885

“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.