SCHEMBL13736665

SCHEMBL13736665

COC(=O)C12CCC(OC)(CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CHRM1 P11229 1/20 0.37
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.34
IDH1 O75874 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPT P10636 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
SCHEMBL2445606 0.87 NPSR1 (0.46) NPSR1CHRM1HSD11B1LMNAIDH1
SCHEMBL11156458 0.84
SCHEMBL12302983 0.80 ALDH1A1 (0.37) LMNAMAPT
SCHEMBL2451039 0.80 NPSR1 (0.46) NPSR1CHRM1HSD11B1LMNAIDH1
SCHEMBL19271800 0.78 NPSR1 (0.40) NPSR1CHRM1HSD11B1LMNAIDH1
SCHEMBL12302197 0.78 NPSR1 (0.40) NPSR1CHRM1HSD11B1LMNAIDH1
SCHEMBL16099826 0.78 NPSR1 (0.40) NPSR1CHRM1HSD11B1LMNAIDH1
SCHEMBL646389 0.78 CHRM1 (0.41) NPSR1CHRM1HSD11B1LMNAIDH1
SCHEMBL15116519 0.78 ALDH1A1 (0.30)
SCHEMBL705019 0.78 NPSR1 (0.40) NPSR1CHRM1HSD11B1LMNAIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090892-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2025-05-01 WO claimed
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US claimed
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
WO-2025090892-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2025-05-01 WO disclosed
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-20160039780-A1 BICYCLO [2.2.2] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-11 US disclosed
EP-2970172-A1 BICYCLO [2.2.2]ACID GPR120 MODULATORS Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-26 US disclosed
US-9139534-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-09-22 US disclosed
WO-2014159802-A1 BICYCLO [2.2.2] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
WO-2014159802-A1 BICYCLO [2.2.2] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 EP disclosed
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 US disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 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 (5 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-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 NPSR1 4625/4885CHRM1 4541/4885HSD11B1 4214/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 NPSR1 1993/4885CHRM1 492/4885HSD11B1 700/4885
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 NPSR1 4625/4885CHRM1 4541/4885HSD11B1 4214/4885
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 NPSR1 4625/4885CHRM1 4541/4885HSD11B1 4214/4885
US-20160039780-A1 BICYCLO [2.2.2] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 NPSR1 156/4885CHRM1 666/4885HSD11B1 724/4885

“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.