SCHEMBL320581

SCHEMBL320581

COCOc1cc(OCC2=CCN(Cc3ccccc3)CC2)c(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
REV1 Q9UBZ9 1/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
S1PR5 Q9H228 1/20 0.34
HTR2A P28223 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 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
SCHEMBL21061062 0.82 KDM4E (0.38) CCNT1CDK9MEN1KMT2AHTR1A
SCHEMBL2801222 0.81 CCNT1 (0.42) CCNT1CDK9MEN1KMT2ALMNA
SCHEMBL2801046 0.81 CCNT1 (0.44) CCNT1CDK9MEN1KMT2ASLC6A4
SCHEMBL325593 0.80 HTR1A (0.49) MEN1KMT2AREV1HTR1ADRD2
SCHEMBL326519 0.80 SLC6A4 (0.39) CCNT1CDK9REV1HTR1ADRD2
SCHEMBL320052 0.79 HTR1A (0.48) MEN1KMT2AREV1HTR1ADRD2
SCHEMBL10268787 0.78 LMNA (0.42) MEN1KMT2AHTR1ADRD2SLC6A4
SCHEMBL1588617 0.78 ALDH1A1 (0.42) HTR1ADRD2LMNATSHRHTT
SCHEMBL31738781 0.78 MEN1 (0.46) MEN1KMT2ADRD2LMNAMAPT
SCHEMBL2800502 0.77 MEN1 (0.39) CCNT1CDK9MEN1KMT2AHTR1A

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 13 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-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
EP-3144312-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie B.V. (NL) 2017-03-22 EP 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
EP-2590955-B1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-10-12 EP disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 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 (7 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 CCNT1 1143/4885CDK9 2912/4885MEN1 1540/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 CCNT1 1374/4885CDK9 2319/4885MEN1 303/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CCNT1 1028/4885CDK9 2913/4885MEN1 1454/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 CCNT1 1143/4885CDK9 2912/4885MEN1 1540/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CCNT1 1028/4885CDK9 2913/4885MEN1 1454/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 CCNT1 1374/4885CDK9 2319/4885MEN1 303/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 CCNT1 1143/4885CDK9 2912/4885MEN1 1540/4885

“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.