SCHEMBL22357752

SCHEMBL22357752

CC(C)n1nc(CCN(C)C)c2ccc(C(C)(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.40
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ PDE2A O00408 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HTR4 Q13639 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ NLRP3 Q96P20 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
SCHEMBL26997338 0.85 LMNA (0.36) HTR1DTMEM97SIGMAR1PDE2ALMNA
SCHEMBL22357753 0.84 HTR1D (0.43) HTR1DTMEM97SIGMAR1PDE2ANLRP3
SCHEMBL20117055 0.83 HTR6 (0.34) KCNH2OPRD1HTR6HTR4SYK
SCHEMBL26997341 0.82 TMEM97 (0.34) HTR1DTMEM97SIGMAR1PDE2ANLRP3
SCHEMBL22357756 0.81 PDE2A (0.40) TMEM97SIGMAR1PDE2ASYKNLRP3
SCHEMBL22357755 0.80 MTNR1A (0.37) KDM4ECNR2LMNANLRP3
SCHEMBL2758323 0.68 HTR1D (0.55) HTR1DKCNH2CYP1A2CYP2C19HTR6
SCHEMBL21025789 0.67 SLC22A12 (0.42) HTR1DKCNH2KDM4ECYP1A2CYP2C19
SCHEMBL20116951 0.65 CMKLR1 (0.35) PDE2ANLRP3
SCHEMBL21025791 0.65 SLC22A12 (0.41) HTR1DKCNH2KDM4ECYP1A2CYP2C19

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
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

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 HTR1D 2946/4885KCNH2 1329/4885KDM4E 2853/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HTR1D 2946/4885KCNH2 1329/4885KDM4E 2853/4885

“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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