SCHEMBL5656315

SCHEMBL5656315

CCOc1ccccc1NC(=O)OCCCN1CCN(c2cccnn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
POLB P06746 1/20 0.45
HTR4 Q13639 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5659559 0.94 HTR4 (0.50) ALDH1A1SMN1; SMN2MAPTPOLBHTR4
SCHEMBL5656326 0.91 ALDH1A1 (0.54) HTR1AHTR2AALDH1A1SMN1; SMN2HTR4
SCHEMBL5657710 0.90 HTR1A (0.59) HTR1AHTR2AALDH1A1SMN1; SMN2HRH3
SCHEMBL5657866 0.87 MAPT (0.47) HTR1AHTR2AALDH1A1MAPTPOLB
SCHEMBL5656937 0.87 MAPT (0.47) HTR1AHTR2AALDH1A1MAPTPOLB
SCHEMBL5657183 0.85 DRD2 (0.55) HTR1AHTR2AHRH3POLBADRA1D
SCHEMBL6953515 0.85 HTR1A (0.43) HTR1AHTR2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5657766 0.85 HRH3 (0.56) HTR1AHTR2ASMN1; SMN2HRH3
SCHEMBL5657920 0.85 HTR1A (0.47) HTR1AHTR2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5656910 0.85 HTR4 (0.58) ALDH1A1SMN1; SMN2HTR4ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2021-08-19 US disclosed
US-20210009587-A1 ERBB RECEPTOR INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-14 US disclosed
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 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 (2 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-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 HTR1A 2592/4885HTR2A 4070/4885ALDH1A1 4739/4885
US-20210009587-A1 ERBB RECEPTOR INHIBITORS ERBB2, EGFR, ERBB3 HTR1A 1589/4885HTR2A 870/4885ALDH1A1 4068/4885

“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.