SCHEMBL22338552

SCHEMBL22338552

CC(C)C(c1ccccc1Cl)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.40
AOC3 Q16853 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
OPRM1 P35372 6/20 0.38
NISCH Q9Y2I1 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL22338551 0.92 TAS1R3 (0.42) OPRL1AOC3ADRB2ADRB1CYP1A2
SCHEMBL22303858 0.77 ADRB2 (0.40) OPRL1AOC3ADRB2ADRB1CYP2D6
SCHEMBL12473635 0.74 ADRB2 (0.42) OPRL1ADRB2ADRB1CYP1A2CYP3A4
SCHEMBL31521241 0.73 OPRL1 (0.41) OPRL1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL14862296 0.73 OPRL1 (0.41) OPRL1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL31521476 0.73 OPRL1 (0.45) OPRL1AOC3ADRB2ADRB1CYP1A2
SCHEMBL2504578 0.73 OPRL1 (0.45) OPRL1AOC3ADRB2ADRB1CYP1A2
SCHEMBL2676786 0.73 OPRL1 (0.41) OPRL1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL31521400 0.73 OPRL1 (0.41) OPRL1AOC3CYP1A2CYP3A4CYP2D6
SCHEMBL24725717 0.72 ADRB2 (0.46) AOC3ADRB2ADRB1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022235699-A2 POTENT ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF IMMUNOGLOBULINS AND OTHER PROTEINS AVILAR THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 US disclosed
WO-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 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-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA OPRL1 66/4885AOC3 380/4885ADRB2 186/4885

“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.