SCHEMBL2290939

SCHEMBL2290939

NC(=O)NCC12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
TSHR P16473 1/20 1.00
EPHX2 P34913 7/20 0.66
HSD17B10 Q99714 1/20 0.63
P2RX7 Q99572 5/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 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
SCHEMBL11076664 0.83 ALDH1A1 (0.70) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL14644919 0.83 ALDH1A1 (0.70) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL2280187 0.82 ALDH1A1 (0.69) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL11495581 0.81 ALDH1A1 (0.68) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL660424 0.81 ALDH1A1 (0.68) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL15739698 0.81 ALDH1A1 (0.68) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL23195092 0.79 ALDH1A1 (0.66) ALDH1A1TSHREPHX2HSD17B10P2RX7
Hydrochloric Acid SCHEMBL28488097 0.79 ALDH1A1 (0.66) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL14342031 0.78 ALDH1A1 (0.63) ALDH1A1TSHREPHX2HSD17B10P2RX7
SCHEMBL14644935 0.78 ALDH1A1 (0.63) ALDH1A1TSHREPHX2HSD17B10P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998989-B2 2-Imino-1,3-thiazoline-based compounds and T-type calcium channel inhibitors containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-08-16 US disclosed
US-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-11-27 US disclosed
US-20070280957-A1 Change of the Load State of Mhc Molecules MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2007-12-06 US disclosed
US-20070280957-A1 Change of the Load State of Mhc Molecules MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2007-12-06 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 (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-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME CACNA1I, CACNA1H, CACNA1G ALDH1A1 2247/4885TSHR 2104/4885EPHX2 3815/4885
US-20070280957-A1 Change of the Load State of Mhc Molecules HLA-DRB1, MICA, CD74 ALDH1A1 1160/4885TSHR 3260/4885EPHX2 3012/4885

“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.