SCHEMBL1587952

SCHEMBL1587952

c1ccc(CN2CCC3(CC2)COc2ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.57
CYP3A4 P08684 3/20 0.57
TP53 P04637 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
TSHR P16473 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2C9 P11712 1/20 0.57
DRD2 P14416 1/20 0.55
NFKB1 P19838 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
MAPK1 P28482 1/20 0.55
HTR2B P41595 1/20 0.55
MTOR P42345 1/20 0.55
MEN1 O00255 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL3217199 0.92 SIGMAR1 (0.51) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL19602190 0.89 SIGMAR1 (0.61) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL1587962 0.87 SIGMAR1 (0.59) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL19602188 0.86 SIGMAR1 (0.55) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL1269040 0.85 SIGMAR1 (0.56) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL325502 0.84 SIGMAR1 (0.58) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL10265035 0.84 S1PR5 (0.50) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL18657304 0.84 SIGMAR1 (0.60) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL10265348 0.84 SIGMAR1 (0.61) SIGMAR1CYP3A4TP53CYP1A2CYP2D6
SCHEMBL325591 0.84 S1PR5 (0.50) SIGMAR1CYP3A4TP53CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
EP-2590955-B9 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-02-22 EP disclosed
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-24 US disclosed
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-24 US disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 US disclosed
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 US disclosed
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists PFIZER INC. 2011-04-21 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 (8 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885CYP3A4 2725/4885TP53 3161/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885CYP3A4 1499/4885TP53 4133/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 140/4885CYP3A4 2603/4885TP53 3226/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885CYP3A4 2725/4885TP53 3161/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 140/4885CYP3A4 2603/4885TP53 3226/4885
US-20110092529-A1 1,2,4-Triazole Derivatives and Their Use as Oxytocin Antagonists OXTR, PRLHR, KISS1R SIGMAR1 748/4885CYP3A4 1209/4885TP53 4827/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 SIGMAR1 152/4885CYP3A4 1499/4885TP53 4133/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 SIGMAR1 151/4885CYP3A4 2725/4885TP53 3161/4885

“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.