SCHEMBL9891877

SCHEMBL9891877

CC(C)(C)C1CCCN1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACE P12821 3/20 0.36
SLC6A9 P48067 2/20 0.35
RIPK1 Q13546 1/20 0.34
TACR1 P25103 1/20 0.33
HRH3 Q9Y5N1 4/20 0.33
LTA4H P09960 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
REN P00797 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
SCHEMBL22541505 0.81 TACR1 (0.38) LMNACYP2C19HSD17B10SLC6A9TACR1
SCHEMBL9891876 0.80 HRH3 (0.37) HSD17B10SLC6A9HRH3
SCHEMBL24782349 0.76 SLC6A9 (0.35) SLC6A9POLBL3MBTL1
SCHEMBL15925112 0.75 LTA4H (0.39) LMNACYP2C19HSD17B10ACERIPK1
SCHEMBL25202526 0.75 ALDH1A1 (0.48) LMNAHSD17B10SLC6A9HRH3POLB
SCHEMBL500406 0.75 ALDH1A1 (0.48) LMNAHSD17B10SLC6A9HRH3POLB
SCHEMBL5988537 0.74 ALDH1A1 (0.35) SLC6A9L3MBTL1
SCHEMBL23717637 0.74 ALDH1A1 (0.35) SLC6A9L3MBTL1
SCHEMBL10215970 0.74 ALDH1A1 (0.35) SLC6A9L3MBTL1
SCHEMBL7354461 0.74 SLC6A1 (0.33) SLC6A9

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-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-07-04 US disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4696/4885CYP2C19 1646/4885HSD17B10 3541/4885
US-20190202801-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABHD6, RABL6, ABHD16A LMNA 4625/4885CYP2C19 4543/4885HSD17B10 2683/4885

“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.