SCHEMBL10014749

SCHEMBL10014749

CC(C)c1ccc(OCC2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
GPR88 Q9GZN0 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.46
KDM1A O60341 1/20 0.46
ACACB O00763 3/20 0.46
ACACA Q13085 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL22414514 0.93 PARP15 (0.53) PARP15PARP10PARP2GPR88TDP1
SCHEMBL13439690 0.91 FFAR1 (0.56) PARP15PARP10PARP2GPR88TDP1
SCHEMBL10223303 0.88 TDP1 (0.67) TDP1KDM1A
SCHEMBL18559634 0.87 MEN1 (0.50) KMT2AMEN1
SCHEMBL7601081 0.85 PARP15 (0.51) PARP15PARP10PARP2GPR88TDP1
SCHEMBL30932889 0.85 PARP15 (0.51) PARP15PARP10PARP2GPR88TDP1
SCHEMBL17246825 0.85 PARP15 (0.51) PARP15PARP10PARP2GPR88TDP1
SCHEMBL19876587 0.85 PARP15 (0.51) PARP15PARP10PARP2GPR88TDP1
SCHEMBL29024848 0.83 PARP15 (0.64) PARP15PARP10PARP2TDP1
SCHEMBL14159031 0.83 HRH3 (0.51) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780819-B2 Aromatic substituted alkane-core monomers and polymers thereof for volume Bragg gratings META PLATFORMS TECHNOLOGIES, LLC (US) 2023-10-10 US disclosed
US-20230008433-A1 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. 2023-01-12 US disclosed
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-9433501-B2 Inflation media for implants DIRECT FLOW MEDICAL, INC. (US) 2016-09-06 US disclosed
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-07-07 US disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20120022629-A1 INFLATION MEDIA FOR IMPLANTS DIRECT FLOW MEDICAL, INC. (US) 2012-01-26 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 (12 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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 PARP15 1024/4885PARP10 1727/4885PARP2 1847/4885
US-10167254-B2 IDO inhibitors IDO1, IDO2, INMT PARP15 524/4885PARP10 734/4885PARP2 1348/4885
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A PARP15 2127/4885PARP10 3087/4885PARP2 4160/4885
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 PARP15 319/4885PARP10 1007/4885PARP2 635/4885
US-20230008433-A1 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP PARP15 503/4885PARP10 478/4885PARP2 732/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT PARP15 958/4885PARP10 1406/4885PARP2 965/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 PARP15 1024/4885PARP10 1727/4885PARP2 1847/4885
US-11780819-B2 Aromatic substituted alkane-core monomers and polymers thereof for volume Bragg gratings SMAD2, ALK, SMAD3 PARP15 2457/4885PARP10 2163/4885PARP2 603/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT PARP15 958/4885PARP10 1406/4885PARP2 965/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT PARP15 958/4885PARP10 1406/4885PARP2 965/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT PARP15 524/4885PARP10 734/4885PARP2 1348/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT PARP15 958/4885PARP10 1406/4885PARP2 965/4885

“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.