SCHEMBL9948726

SCHEMBL9948726

NC1C2CC3CC1CC(CC(=O)O)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 6/20 0.46
P2RX7 Q99572 2/20 0.42
HSD11B1 P28845 2/20 0.41
HSD11B2 P80365 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
BPTF Q12830 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1160738 0.85 ALDH1A1 (0.43) ALDH1A1P2RX7HSD11B1HSD11B2BPTF
SCHEMBL3112462 0.85 ALDH1A1 (0.49) POLBALDH1A1P2RX7HSD11B1HSD11B2
Adamantaneacetic Acid SCHEMBL24688608 0.82 ALDH1A1 (0.62) POLBALDH1A1P2RX7HSD11B1CYP3A4
Adamantaneacetic Acid SCHEMBL6865701 0.82 ALDH1A1 (0.62) POLBALDH1A1P2RX7HSD11B1CYP3A4
Adamantaneacetic Acid SCHEMBL306081 0.82 ALDH1A1 (0.62) POLBALDH1A1P2RX7HSD11B1CYP3A4
SCHEMBL16684403 0.81 ALDH1A1 (0.46) POLBALDH1A1P2RX7HSD11B1HSD11B2
Adamantaneacetic Acid SCHEMBL4147939 0.80 ALDH1A1 (0.60) POLBALDH1A1P2RX7HSD11B1CYP3A4
SCHEMBL13766697 0.77 SMN1; SMN2 (0.46) POLBALDH1A1P2RX7HSD11B1HSD11B2
SCHEMBL17628790 0.77
Adamantaneacetic Acid SCHEMBL6531436 0.77 POLB (0.58) POLBALDH1A1P2RX7CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903290-A Novel compound having ability to inhibit 11beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient AHN GOOK PHARMACEUTICAL CO LTD 2015-09-09 CN disclosed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 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-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 POLB 1979/4885ALDH1A1 2230/4885P2RX7 756/4885

“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.