SCHEMBL13281154

SCHEMBL13281154

O=C(O)C1(CC2CC2)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
SLC6A1 P30531 2/20 0.34
SLC6A12 P48065 2/20 0.34

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
SCHEMBL29953092 0.85 CYP2C19 (0.38) TSHRCYP2C19ARG1
SCHEMBL1053596 0.81 CYP2C19 (0.45) CYP2C19ARG1
SCHEMBL16211144 0.80 CYP2C19 (0.32) CYP2C19
SCHEMBL7421923 0.77 CYP2C19 (0.40) KMT2ACYP2C19ARG1EPHX1
SCHEMBL5809445 0.76 CYP2C19 (0.32) CYP2C19
SCHEMBL378774 0.75 POLB (0.47) KMT2A
SCHEMBL14040657 0.74 MC4R (0.41) KDM4EKMT2A
SCHEMBL4294182 0.74 CYP2C19 (0.37) GABRA5GABRB2GABRA1GABRA4GABRP
SCHEMBL11346600 0.73 CYP2C19 (0.52) KMT2ACYP2C19ARG1EPHX1
SCHEMBL6586703 0.73 CYP2C19 (0.52) KMT2ACYP2C19ARG1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed
CN-103619838-B Piperidinyl monocarboxylic acids as S1P1 receptor agonists 生物计划公司 2016-08-24 CN disclosed
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-04-10 US disclosed
CN-103619838-A Novel piperidinyl monocarboxylic acids as s1p1 receptor agonists BIOPROJET SOC CIV 2014-03-05 CN disclosed
EP-2697219-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS Bioprojet (FR) 2014-02-19 EP disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 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-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 GABRA5 272/4885GABRB2 389/4885GABRA1 164/4885

“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.