SCHEMBL650591

SCHEMBL650591

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(CCC1CC1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GBA1 P04062 1/20 0.34
TSHR P16473 2/20 0.34
BCHE P06276 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CRHR1 P34998 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSL P07711 1/20 0.33
AVPR1B P47901 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
SCHEMBL648634 0.92 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649257 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL652376 0.91 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL649839 0.88 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650504 0.88 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL1912840 0.88 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL651344 0.88 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650416 0.88 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650038 0.88 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1
SCHEMBL650515 0.87 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403527-A Method for synthesizing bactericide ethirimol by reductive amination method 西安近代化学研究所 2022-11-29 CN claimed
CN-114933532-A Method for continuously synthesizing 2-n-butyl ethyl acetoacetate by using fixed bed 安徽英瑞骐生物科技有限公司 2022-08-23 CN claimed
CN-114920646-A Novel synthesis method of 2-n-butyl ethyl acetoacetate 安徽英瑞骐生物科技有限公司 2022-08-19 CN claimed
CN-114933532-B Method for continuously synthesizing 2-n-butyl acetoacetic acid ethyl ester by fixed bed 安徽英瑞骐生物科技有限公司 2024-01-30 CN disclosed
CN-115403527-A Method for synthesizing bactericide ethirimol by reductive amination method 西安近代化学研究所 2022-11-29 CN disclosed
CN-114933532-A Method for continuously synthesizing 2-n-butyl ethyl acetoacetate by using fixed bed 安徽英瑞骐生物科技有限公司 2022-08-23 CN disclosed
CN-114920646-A Novel synthesis method of 2-n-butyl ethyl acetoacetate 安徽英瑞骐生物科技有限公司 2022-08-19 CN disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1742924-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-17 EP disclosed
WO-2005108376-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-17 WO disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (1 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 C5AR1 4363/4885SMN1; SMN2 2642/4885LMNA 3993/4885

“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.