SCHEMBL23613101

SCHEMBL23613101

CC(C)(C)CNC1=NCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.39
ADRA2B P18089 9/20 0.39
ADRA2C P18825 9/20 0.39
ADRA1A P35348 4/20 0.39
CYP3A4 P08684 2/20 0.39
GMNN O75496 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
OPRK1 P41145 1/20 0.39
HIF1A Q16665 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.33
CFB P00751 1/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL11356202 0.80 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL10143149 0.77
SCHEMBL4401199 0.76 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL11125378 0.73
SCHEMBL24533674 0.72
SCHEMBL19533129 0.72 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL32681385 0.72 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL9558829 0.71 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL11125149 0.71 SMN1; SMN2 (0.49) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL1726232 0.69 SMN1; SMN2 (0.43) ADRA2AADRA2BADRA2CADRA1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306133-A1 COMPOSITION FOR ADMINISTRATION OF DOUBLE-STRANDED OLIGONUCLEOTIDE STRUCTURES USING ULTRASONIC NEBULIZER FOR PREVENTION OR TREATMENT OF RESPIRATORY VIRAL INFECTION INCLUDING COVID-19, PULMONARY FIBROSIS CAUSED BY VIRAL INFECTION, OR RESPIRATORY DISEASES Bioneer Corporation (KR) 2024-01-17 EP disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
EP-3888686-A1 DOUBLE STRANDED OLIGONUCLEOTIDE CONSTRUCT COMPRISING ANDROGEN RECEPTOR SPECIFIC SEQUENCE, AND COMPOSITION FOR PREVENTING HAIR LOSS AND PROMOTING HAIR GROWTH COMPRISING SAME Bioneer Corporation (KR) 2021-10-06 EP disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 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 (6 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ADRA2A 3294/4885ADRA2B 2777/4885ADRA2C 2861/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ADRA2A 3294/4885ADRA2B 2777/4885ADRA2C 2861/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ADRA2A 2078/4885ADRA2B 1120/4885ADRA2C 1516/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI ADRA2A 2737/4885ADRA2B 1918/4885ADRA2C 2123/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ADRA2A 3294/4885ADRA2B 2777/4885ADRA2C 2861/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ADRA2A 3894/4885ADRA2B 3503/4885ADRA2C 3077/4885

“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.