SCHEMBL1126489

SCHEMBL1126489

CC(C)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.69
MC4R P32245 1/20 0.63
KDM4E B2RXH2 3/20 0.62
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
DRD4 P21917 1/20 0.56
ACHE P22303 1/20 0.55
IGF1R P08069 1/20 0.54
HTT P42858 1/20 0.53
GAA P10253 1/20 0.53
CCR3 P51677 1/20 0.51

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
SCHEMBL8020124 0.90 SIGMAR1 (0.56) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL8446462 0.85 SIGMAR1 (0.64) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL1394539 0.85 KDM4E (0.68) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL1394677 0.85 KDM4E (0.68) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL23775274 0.85 SIGMAR1 (0.64) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL24672242 0.85 KDM4E (0.68) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL8446786 0.85 SIGMAR1 (0.64) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL1394535 0.85 KDM4E (0.68) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL21797152 0.85 KDM4E (0.68) SIGMAR1MC4RKDM4ELMNAPOLB
SCHEMBL10885924 0.85 SIGMAR1 (0.64) SIGMAR1MC4RKDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
US-10611732-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 US disclosed
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed
WO-2009097332-A2 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2009-08-06 WO disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 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 (10 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-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD SIGMAR1 2724/4885MC4R 4542/4885KDM4E 2891/4885
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 SIGMAR1 238/4885MC4R 3919/4885KDM4E 2092/4885
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR SIGMAR1 2876/4885MC4R 4137/4885KDM4E 2957/4885
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 SIGMAR1 3476/4885MC4R 2283/4885KDM4E 1154/4885
US-10611732-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 SIGMAR1 238/4885MC4R 3919/4885KDM4E 2092/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 SIGMAR1 98/4885MC4R 4249/4885KDM4E 3601/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 SIGMAR1 3944/4885MC4R 2289/4885KDM4E 1262/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 SIGMAR1 3070/4885MC4R 3433/4885KDM4E 262/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 SIGMAR1 238/4885MC4R 3919/4885KDM4E 2092/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR SIGMAR1 2876/4885MC4R 4137/4885KDM4E 2957/4885

“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.