SCHEMBL2209183

SCHEMBL2209183

Cc1ccccc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 1.00
HTR7 P34969 4/20 0.73
HTR3A P46098 6/20 0.67
HTR1A P08908 6/20 0.67
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
HTR6 P50406 3/20 0.59
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
DRD2 P14416 1/20 0.59
CYP2C19 P33261 1/20 0.59
DRD3 P35462 1/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
HTR2A P28223 2/20 0.56

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
SCHEMBL4896 1.00 ADRB1 (1.00) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL29432760 1.00 ADRB1 (1.00) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL30182987 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL615079 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL615080 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL314296 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Bromide SCHEMBL10672999 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL409069 0.93 ADRB1 (0.86) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL18043576 0.91 ADRB1 (0.83) ADRB1HTR7HTR3AHTR1ACYP1A2
Bicarbonate SCHEMBL11622663 0.91 ADRB1 (0.83) ADRB1HTR7HTR3AHTR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550093-B2 Third generation taxoids and methods of using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-02-04 US disclosed
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2018-07-12 US disclosed
US-7981926-B2 Fluorotaxoids RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-07-19 US disclosed
US-20090118355-A1 Fluorotaxoids RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2009-05-07 US disclosed
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
EP-1095042-B9 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER HEALTHCARE AG (DE) 2006-07-05 EP 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-20090118355-A1 Fluorotaxoids FAU, ARF5, ARFGEF1 ADRB1 3204/4885HTR7 3804/4885HTR3A 1590/4885
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same CBR3, TUBB3, CBX3 ADRB1 1355/4885HTR7 2722/4885HTR3A 365/4885
US-10550093-B2 Third generation taxoids and methods of using same CBR3, TUBB3, CBX3 ADRB1 1355/4885HTR7 2722/4885HTR3A 365/4885

“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.