SCHEMBL7247162

SCHEMBL7247162

COc1cc(Br)ccc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
MGAM O43451 4/20 0.45
SI P14410 4/20 0.45
MGAM2 Q2M2H8 4/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL131870 0.92 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
Acetonitrile SCHEMBL5361606 0.91 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
Acetaldehyde SCHEMBL5355547 0.91 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
Alcohol SCHEMBL5350683 0.91 MGAM (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29419589 0.83 CA2 (0.56) ALDH1A1MAPTSMN1; SMN2KDM4ETDP1
SCHEMBL20509 0.83 CA2 (0.56) ALDH1A1MAPTSMN1; SMN2KDM4ETDP1
SCHEMBL30697962 0.82 PDE4B (0.46) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL2410034 0.82 PDE4B (0.46) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL131996 0.81 ALDH1A1 (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1256865 0.81 CA2 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4ETDP1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
CN-110713489-A Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2020-01-21 CN disclosed
EP-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-20180072744-A1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-15 US disclosed
US-9914735-B2 Heteroaryl Syk inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-13 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
WO-2014022639-A1 SOLID FORMS OF (4-ISOPROPOXY-3-METHOXYPHENYL)(2'-METHYL-6'-(TRIFLUOROMETHYL)-3',4'-DIHYDRO-2'H-SPIRO[PIPERIDINE-4,1'-PYRROLO[1,2-A]PYRAZINE]-1-YL)METHANONE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-06 WO disclosed
EP-2686325-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2014-01-22 EP disclosed
EP-2670752-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-11 EP disclosed
WO-2013109521-A1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 WO disclosed
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 US disclosed
WO-2012125613-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 WO disclosed
WO-2012106499-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 WO disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20030199493-A1 Novel derivatives and analogues of galanthamin SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2003-10-23 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 (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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 GAA 2899/4885MGAM 4872/4885SI 4265/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 GAA 3688/4885MGAM 3519/4885SI 2608/4885
US-20030199493-A1 Novel derivatives and analogues of galanthamin GALR1, GALNT1, GALK1 GAA 166/4885MGAM 226/4885SI 1567/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 GAA 2899/4885MGAM 4872/4885SI 4265/4885
US-20180072744-A1 HETEROARYL SYK INHIBITORS SYK, BTK, CD40 GAA 3688/4885MGAM 3519/4885SI 2608/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 GAA 2974/4885MGAM 4843/4885SI 4603/4885
US-20130029949-A1 Substituted Quinolines and Their Use As Medicaments QARS1, RECQL, CYP3A7 GAA 834/4885MGAM 2130/4885SI 3499/4885

“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.