SCHEMBL1237992

SCHEMBL1237992

NC(=O)N1C2CC3CC(C2)CC1C3

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL15149262 0.76 HSD11B1 (0.40) HSD11B1THRBCYP2C9CHRNB2CHRNB4
SCHEMBL30599114 0.75 EPHX1 (0.31)
SCHEMBL29483238 0.75 CHRNB2 (0.33) KDM4ECHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL699442 0.74 SMN1; SMN2 (0.46) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1237978 0.74 HSD11B1 (0.39) HSD11B1KDM4EALDH1A1
SCHEMBL1236481 0.74 HSD11B1 (0.35) HSD11B1
SCHEMBL17331177 0.73 HSD11B1 (0.40) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA7
Adamantane SCHEMBL3723679 0.73 ALDH1A1 (0.50) HSD11B1THRBCYP2C9KDM4ENPC1
SCHEMBL30599102 0.72 EPHX1 (0.33) ALDH1A1
SCHEMBL31719598 0.70

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301950-B2 Adamantane analogs THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-05 US claimed
US-20120270917-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-25 US claimed
WO-2011022191-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-02-24 WO claimed
US-9301950-B2 Adamantane analogs THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-05 US disclosed
US-20120270917-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-25 US disclosed
WO-2011022191-A1 ADAMANTANE ANALOGS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-02-24 WO 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-20120270917-A1 ADAMANTANE ANALOGS HAVCR2, ADORA2A, ADORA1 HSD11B1 3481/4885THRB 582/4885CYP2C9 2865/4885

“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.