SCHEMBL18334115

SCHEMBL18334115

COc1cnc(N2CCN(C(C)C)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.58
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 1/20 0.43
ACACB O00763 1/20 0.41
KDM4E B2RXH2 4/20 0.40
PARP1 P09874 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL1742877 0.85 ACACB (0.49) OGAMAPTKMT2ARAB9AHRH3
SCHEMBL6927120 0.80 KMT2A (0.49) OGAMAPTKMT2ARAB9ANPC1
SCHEMBL890101 0.80 OGA (0.55) OGAMAPTHRH3KDM4EALDH1A1
SCHEMBL9366521 0.79 HRH3 (0.65) KMT2AHRH3KDM4EALDH1A1TLR9
SCHEMBL17897245 0.79 OGA (0.56) OGAMAPTHRH3KDM4EALDH1A1
SCHEMBL1743222 0.79 PANK3 (0.47) OGAMAPTHRH3ACACBKDM4E
SCHEMBL1126338 0.79 OGA (0.53) OGAMAPTHRH3KDM4EALDH1A1
SCHEMBL18768499 0.79 MAPT (0.47) OGAMAPTKMT2ARAB9ANPC1
SCHEMBL889353 0.79 OGA (0.45) OGAMAPTKDM4EALDH1A1PTPN11
SCHEMBL29656709 0.78 KMT2A (0.50) OGAMAPTKMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369606-B2 Combinations comprising positive allosteric modulators or orthosteric agonists of metabotropic glutamatergic receptor subtype 2 and their use JANSSEN PHARMACEUTICA NV (BE) 2022-06-28 US disclosed
US-20220143141-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2022-05-12 US disclosed
US-20220047593-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2022-02-17 US disclosed
US-20200138813-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2020-05-07 US disclosed
US-20200138814-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2020-05-07 US disclosed
US-20160367554-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE Neuroadjuvants, Inc 2016-12-22 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 (6 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-20160367554-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 OGA 2962/4885MAPT 1115/4885KMT2A 448/4885
US-20220047593-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 OGA 2962/4885MAPT 1115/4885KMT2A 448/4885
US-20200138813-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 OGA 2962/4885MAPT 1115/4885KMT2A 448/4885
US-11369606-B2 Combinations comprising positive allosteric modulators or orthosteric agonists of metabotropic glutamatergic receptor subtype 2 and their use GRM2, GRIN2A, GRIK2 OGA 2962/4885MAPT 1115/4885KMT2A 448/4885
US-20200138814-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 OGA 2962/4885MAPT 1115/4885KMT2A 448/4885
US-20220143141-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 OGA 2962/4885MAPT 1115/4885KMT2A 448/4885

“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.