SCHEMBL30720940

SCHEMBL30720940

COc1ccc(-c2noc(C3CCN(CCNC(=O)OC(C)(C)C)CC3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 1/20 0.48
TLR8 Q9NR97 5/20 0.48
TLR7 Q9NYK1 5/20 0.48
TLR9 Q9NR96 4/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
SMO Q99835 1/20 0.48
NR1H4 Q96RI1 3/20 0.48
NPC1 O15118 1/20 0.48
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL20116546 1.00 TSHR (0.49) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL20116221 0.86 SMO (0.52) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL30720936 0.86 SMO (0.52) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL20116127 0.85 NR1H4 (0.55) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL20660776 0.84 TSHR (0.56) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL21611300 0.84 NPC1 (0.51) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL20660824 0.82 HTR1A (0.54) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL20116547 0.79 TLR9 (0.54) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL20116374 0.77 SMO (0.51) TSHRMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL20676691 0.77 HTT (0.57) TSHRMEN1CYP3A4CYP2C9CYP2C19

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-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
US-20240400546-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-12-05 US disclosed
US-20240300938-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 US disclosed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 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-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TSHR 4679/4885MEN1 1807/4885CYP3A4 1178/4885
US-20240300938-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TSHR 4679/4885MEN1 1807/4885CYP3A4 1178/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 TSHR 4679/4885MEN1 1807/4885CYP3A4 1178/4885
US-20240400546-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TSHR 4679/4885MEN1 1807/4885CYP3A4 1178/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 TSHR 4679/4885MEN1 1807/4885CYP3A4 1178/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 TSHR 4679/4885MEN1 1807/4885CYP3A4 1178/4885

“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.