SCHEMBL14698115

SCHEMBL14698115

CC1(C)CCc2cc(C#N)c(O)nc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 5/20 0.34
HSD17B1 P14061 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 4/20 0.32
GAA P10253 3/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL29818371 1.00 SMN1; SMN2 (0.36) SMN1; SMN2PKMKDM4EHSD17B1MAPK1
SCHEMBL14698246 0.83 SMN1; SMN2 (0.51) SMN1; SMN2PKMKDM4EMAPK1ALDH1A1
SCHEMBL29818557 0.83 SMN1; SMN2 (0.51) SMN1; SMN2PKMKDM4EMAPK1ALDH1A1
SCHEMBL17646774 0.78 PKM (0.35) SMN1; SMN2PKMKDM4EMAPK1ALDH1A1
SCHEMBL22296106 0.74 SMN1; SMN2 (0.42) SMN1; SMN2PKMKDM4EMAPK1ALDH1A1
SCHEMBL17647565 0.74 SMN1; SMN2 (0.56) SMN1; SMN2PKMKDM4EMAPK1ALDH1A1
SCHEMBL16019317 0.67 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPK1ALDH1A1GAA
SCHEMBL4107462 0.67 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPK1ALDH1A1GAA
SCHEMBL29741196 0.67 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPK1ALDH1A1GAA
SCHEMBL2902560 0.66 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. 2024-05-09 US disclosed
EP-4284804-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS Schrödinger, Inc. (US) 2023-12-06 EP disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 WO disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 WO disclosed
WO-2022164789-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS SCHRÖDINGER, INC. (US) 2022-08-04 WO disclosed
US-9351969-B2 Substituted heterocyclic amine compounds as cholesteryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-05-31 US disclosed
US-9351969-B2 Substituted heterocyclic amine compounds as cholesteryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-05-31 US disclosed
US-9351969-B2 Substituted heterocyclic amine compounds as cholesteryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-05-31 US disclosed
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-02-18 US disclosed
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-02-18 US disclosed
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-02-18 US disclosed
US-9199967-B2 Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-01 US disclosed
US-9199967-B2 Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-01 US disclosed
US-9199967-B2 Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-01 US disclosed
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-09-11 US disclosed
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-09-11 US disclosed
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2014-09-11 US disclosed
EP-2744803-A2 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS Dr. Reddy's Laboratories Ltd. (IN) 2014-06-25 EP disclosed
WO-2013024358-A2 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-02-21 WO disclosed
WO-2013024358-A2 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2013-02-21 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 (3 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-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS MALT1, LITAF, IL2 SMN1; SMN2 3734/4885PKM 2176/4885KDM4E 3981/4885
US-20160045488-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP SMN1; SMN2 4877/4885PKM 1351/4885KDM4E 3080/4885
US-20140256724-A1 SUBSTITUTED HETEROCYCLIC AMINE COMPOUNDS AS CHOLESTRYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS CETP, MTTP, PCTP SMN1; SMN2 4859/4885PKM 1567/4885KDM4E 3202/4885

“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.