SCHEMBL19004863

SCHEMBL19004863

CC(C)N1CCN(C(=O)C2CCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 1/20 0.61
HRH3 Q9Y5N1 7/20 0.59
CYP2D6 P10635 2/20 0.53
LMNA P02545 1/20 0.51
HSD11B1 P28845 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HPGD P15428 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KCNH2 Q12809 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL20315424 0.96 ALDH1A1 (0.67) ALDH1A1TSHRHRH3CYP2D6LMNA
SCHEMBL17789642 0.95 LMNA (0.56) ALDH1A1TSHRHRH3CYP2D6LMNA
SCHEMBL13503770 0.94 ALDH1A1 (0.70) ALDH1A1TSHRHRH3CYP2D6LMNA
SCHEMBL104632 0.92 HRH3 (0.63) ALDH1A1TSHRHRH3CYP2D6LMNA
SCHEMBL14453913 0.90 HRH3 (0.66) ALDH1A1TSHRHRH3CYP2D6LMNA
SCHEMBL25143881 0.85 ALDH1A1 (0.57) ALDH1A1TSHRHRH3LMNAHSD11B1
SCHEMBL14471383 0.85 HRH3 (0.60) ALDH1A1TSHRHRH3CYP2D6LMNA
SCHEMBL2924520 0.85 HRH3 (0.56) ALDH1A1TSHRHRH3CYP2D6SIGMAR1
SCHEMBL2926694 0.85 HRH3 (0.56) ALDH1A1TSHRHRH3CYP2D6SIGMAR1
SCHEMBL2924516 0.85 HRH3 (0.56) ALDH1A1TSHRHRH3CYP2D6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof 280 BIO, INC. (US) 2023-09-07 US disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 US disclosed
WO-2021154661-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
WO-2021154663-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
WO-2021154665-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
WO-2017207534-A1 SUBSTITUTED HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 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 (3 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-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 ALDH1A1 1590/4885TSHR 1289/4885HRH3 376/4885
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 ALDH1A1 1590/4885TSHR 1289/4885HRH3 376/4885
US-20230278998-A1 Compound containing structure of a five-membered heteroaromatic ring, pharmaceutical compositions thereof and applications thereof PARG, CYP3A5, CYP11B1 ALDH1A1 749/4885TSHR 3826/4885HRH3 1026/4885

“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.