SCHEMBL19992846

SCHEMBL19992846

CC(C)N1CC2(CCN(CC(=O)O)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
CYP2D6 P10635 8/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 6/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL19992848 0.92 TSHR (0.36) ITGB3ITGA2BCYP2D6TSHRCYP3A4
SCHEMBL19992739 0.92 ITGB3 (0.40) ITGB3ITGA2BCYP2D6TSHRHSD17B10
SCHEMBL20793670 0.90 HRH3 (0.36) ITGB3ITGA2BCYP2D6TSHRHSD17B10
SCHEMBL20793497 0.90 TSHR (0.35) ITGB3ITGA2BCYP2D6TSHRHSD17B10
SCHEMBL20793504 0.87 ITGB3 (0.39) ITGB3ITGA2BCYP2D6TSHRHSD17B10
SCHEMBL20793672 0.85 HRH3 (0.38) ITGB3ITGA2BCYP2D6TSHRHSD17B10
SCHEMBL20793493 0.81 ITGB3 (0.38) ITGB3ITGA2BCYP2D6TSHRHSD17B10
SCHEMBL20793975 0.81 TSHR (0.42) ITGB3ITGA2BCYP2D6TSHRHSD17B10
SCHEMBL20793591 0.80 OPRD1 (0.35) TSHR
SCHEMBL14671193 0.80 ITGB3 (0.42) ITGB3ITGA2BCYP2D6TSHRHSD17B10

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-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 US disclosed
EP-3515897-B1 PIPERAZINE CARBAMATES AS MODULATORS OF MAGL AND/OR ABHD6 AND THEIR USE H LUNDBECK AS (DK) 2021-08-18 EP disclosed
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2021-07-15 US disclosed
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-07-04 US disclosed
WO-2019046330-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 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 (3 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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 ITGB3 4443/4885ITGA2B 4042/4885CYP2D6 459/4885
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABHD6, RABL6, ABHD16A ITGB3 4660/4885ITGA2B 4802/4885CYP2D6 386/4885
US-20210214375-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME OPRL1, MGLL, OPRK1 ITGB3 4097/4885ITGA2B 4048/4885CYP2D6 947/4885

“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.