SCHEMBL20116951

SCHEMBL20116951

CC(C)c1ccc2c(CCO)nn(C(C)C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CMKLR1 Q99788 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ NLRP3 Q96P20 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ CASR P41180 1/20 0.32
▸ SSTR5 P35346 1/20 0.31
▸ RORA P35398 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ RORB Q92753 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ CACNA1C Q13936 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
SCHEMBL22357741 0.86 MPO (0.36) CMKLR1NLRP3POLBCASRSSTR5
SCHEMBL26137621 0.75 KIF11 (0.34) CMKLR1NLRP3POLBCASRTRPA1
SCHEMBL22156297 0.75 GRM4 (0.43) CMKLR1CASRTRPA1PTGS1CACNA1C
SCHEMBL25356861 0.73 NLRP3 (0.57) CMKLR1PDE2ANLRP3POLBSSTR5
SCHEMBL27701252 0.72 NLRP3 (0.39) CMKLR1NLRP3POLBSSTR5
SCHEMBL20117051 0.72 SYK (0.36) NLRP3POLBSSTR5
SCHEMBL22357745 0.71 CASR (0.34) CMKLR1CASR
SCHEMBL20116946 0.70 MPO (0.37) NLRP3POLBSSTR5
SCHEMBL22357756 0.69 PDE2A (0.40) PDE2ANLRP3POLBCASRSSTR5
SCHEMBL26997338 0.68 LMNA (0.36) PDE2ANLRP3RORARORCRORB

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 CMKLR1 4657/4885PDE2A 453/4885NLRP3 2281/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CMKLR1 4657/4885PDE2A 453/4885NLRP3 2281/4885

“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.

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