SCHEMBL4170763

SCHEMBL4170763

CC(C)c1ccc2c(n1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.43
ADRA2B P18089 5/20 0.43
ADRA2C P18825 5/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL20877646 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL20877621 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL25060963 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL19817529 0.98 ADRA2A (0.42) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3429112 0.96 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24803728 0.88 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL25644900 0.86 GRM1 (0.35) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24997680 0.86 GRM1 (0.38) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL25806779 0.82 ADRA2A (0.39) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31003113 0.81 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS MERCK SHARP & DOHME LLC (US) 2023-07-13 US disclosed
US-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME LLC (US) 2023-02-23 US disclosed
US-20230054854-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC 2023-02-23 US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-20090023774-A1 Pyridine analogs as C5A antagonists LACHANCE NICOLAS 2009-01-22 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
US-7429666-B2 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2008-09-30 US disclosed
CN-1968931-A Pyridine analogs as C5A antagonists MERCK FROSST CANADA LTD (CA) 2007-05-23 CN disclosed
EP-1758865-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2007-03-07 EP disclosed
WO-2005121095-A1 PYRIDINE ANALOGS AS C5A ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2005-12-22 WO disclosed
US-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide MERCK FROSST CANADA LTD. (CA) 2005-12-15 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-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ADRA2A 3031/4885ADRA2B 2417/4885ADRA2C 3163/4885
US-20230219962-A1 PYRAZOLO[4,3-d]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF CELLULAR PROLIFERATIVE DISORDERS DPYD, TYMP, TK1 ADRA2A 4228/4885ADRA2B 3588/4885ADRA2C 3772/4885
US-20050277644-A1 antiinflammatory agents; N-[4-(Dimethylamino)benzyl]-N-(4-isopropylphenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-8-carboxamide C5AR2, C5AR1, C3AR1 ADRA2A 333/4885ADRA2B 351/4885ADRA2C 289/4885
US-11780837-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 ADRA2A 1101/4885ADRA2B 675/4885ADRA2C 1193/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ADRA2A 3784/4885ADRA2B 3948/4885ADRA2C 4322/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO ADRA2A 4680/4885ADRA2B 4249/4885ADRA2C 4431/4885
US-20230054854-A1 COMBINATIONS WEE2, WEE1, BCL2 ADRA2A 4304/4885ADRA2B 4399/4885ADRA2C 4418/4885
US-20090023774-A1 Pyridine analogs as C5A antagonists C5AR1, C3AR1, C5AR2 ADRA2A 479/4885ADRA2B 302/4885ADRA2C 423/4885
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM ADRA2A 873/4885ADRA2B 1422/4885ADRA2C 1522/4885
US-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES ZC3HAV1, HDAC11, CXCR1 ADRA2A 4323/4885ADRA2B 4241/4885ADRA2C 3693/4885

“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.