SCHEMBL23732159

SCHEMBL23732159

CC(C)CN1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 3/20 0.38
TSHR P16473 3/20 0.37
GAA P10253 2/20 0.37
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
MC4R P32245 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL21164490 0.96 POLB (0.45) PIK3CDPOLBSIGMAR1TSHRGAA
SCHEMBL13461316 0.94 POLB (0.44) PIK3CDPOLBSIGMAR1TSHRGAA
SCHEMBL3421713 0.91 PIK3CD (0.45) PIK3CDPOLBSIGMAR1TSHRGAA
SCHEMBL22175017 0.84 KDM4E (0.42) PIK3CDPOLBSIGMAR1ALDH1A1
SCHEMBL3420970 0.83 PIK3CD (0.41) PIK3CDPOLBSIGMAR1CYP2D6SMN1; SMN2
SCHEMBL13656174 0.83 MEN1 (0.41) PIK3CDTSHRALDH1A1HTT
SCHEMBL23023701 0.82 POLB (0.51) PIK3CDPOLBSIGMAR1
SCHEMBL13683385 0.82 POLB (0.54) PIK3CDPOLBSIGMAR1TSHRHTT
SCHEMBL25046201 0.82 OPRL1 (0.40) PIK3CD
SCHEMBL25446881 0.82 PIK3CD (0.39) PIK3CDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 PIK3CD 1225/4885POLB 1057/4885SIGMAR1 999/4885

“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.