SCHEMBL9956115

SCHEMBL9956115

Cc1ccc(-n2ccc(C)n2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
CSNK2A1 P68400 1/20 0.46
HCRTR1 O43613 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MYC P01106 3/20 0.40
NOTUM Q6P988 1/20 0.40
PTPN1 P18031 1/20 0.40
HCRTR2 O43614 1/20 0.39
SORT1 Q99523 1/20 0.39
NR4A1 P22736 2/20 0.39
TDO2 P48775 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL9956153 0.81 MYC (0.53) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL9955483 0.77 HCRTR1 (0.46) KDM4EALDH1A1GAAMAPTCSNK2A1
SCHEMBL16277896 0.77 CSNK2A1 (0.45) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL7919899 0.77 NOTUM (0.47) KDM4ECSNK2A1HCRTR1NOTUMHCRTR2
SCHEMBL16277272 0.77 CSNK2A1 (0.45) KDM4EALDH1A1MAPTCSNK2A1HCRTR1
SCHEMBL10262764 0.76 ALDH1A1 (0.56) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL23981879 0.76 MAPT (0.49) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL26643032 0.76 KDM4E (0.41) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL16277507 0.75 CSNK2A1 (0.46) KDM4EALDH1A1GAAMAPTCSNK2A1
SCHEMBL16277315 0.74 KDM4E (0.46) KDM4EALDH1A1CSNK2A1HCRTR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023218023-A1 THIAZOLOARYL-METHYL SUBSTITUTED CYCLIC HYDRAZINE-N-CARBOXAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-11-16 WO disclosed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US disclosed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US disclosed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US disclosed
US-9499517-B2 Substituted prolines / piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9499517-B2 Substituted prolines / piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9499517-B2 Substituted prolines / piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9440982-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 US disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 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-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 KDM4E 967/4885ALDH1A1 1810/4885GAA 2148/4885
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 KDM4E 967/4885ALDH1A1 1810/4885GAA 2148/4885
US-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 KDM4E 967/4885ALDH1A1 1810/4885GAA 2148/4885

“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.