SCHEMBL22388552

SCHEMBL22388552

CCCCCCC(C)(CCCCCC)c1cncn1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.35
RORC P51449 1/20 0.35
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL21719301 1.00 TBXAS1 (0.35) TBXAS1RORCCNR1CNR2CYP17A1
SCHEMBL23431986 1.00 TBXAS1 (0.35) TBXAS1RORCCNR1CNR2CYP17A1
SCHEMBL22807585 0.98 RORC (0.36) TBXAS1RORCCNR1CNR2
SCHEMBL24936176 0.77 TBXAS1 (0.37) TBXAS1CNR1CNR2
SCHEMBL21573048 0.77 RORC (0.37) RORCCYP17A1CYP3A4
SCHEMBL24689847 0.75 CCNB2 (0.32)
SCHEMBL21719306 0.72 GGPS1 (0.30)
SCHEMBL21718557 0.72 ALDH1A1 (0.34) CNR1CNR2CYP3A4
SCHEMBL22236494 0.71 NPC1 (0.35) CNR1CNR2
SCHEMBL21719216 0.71 NPC1 (0.35) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 US disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
US-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 US disclosed
US-10870625-B2 Zwitterionic propargyl-linked antifolates useful for treating bacterial infections UNIVERSITY OF CONNECTICUT (US) 2020-12-22 US disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 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 (5 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-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 TBXAS1 1443/4885RORC 452/4885CNR1 7/4885
US-10870625-B2 Zwitterionic propargyl-linked antifolates useful for treating bacterial infections DHFR, FOLR1, FOLR2 TBXAS1 2355/4885RORC 2434/4885CNR1 1932/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 TBXAS1 2115/4885RORC 1814/4885CNR1 1357/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 TBXAS1 1081/4885RORC 2270/4885CNR1 1093/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 TBXAS1 1443/4885RORC 452/4885CNR1 7/4885

“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.