SCHEMBL20147333

SCHEMBL20147333

COCC1(C)CCN(C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2D6 P10635 1/20 0.36
TACR1 P25103 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL25005277 0.88 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL22951143 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL23732901 0.78 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL24758689 0.78 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6TACR1
SCHEMBL25071745 0.78 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL23103555 0.78 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6MMP1
SCHEMBL15806841 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL8316424 0.76 CYP2D6 (0.39) CYP2D6
SCHEMBL21451675 0.75 CYP2D6 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL21862419 0.75 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807626-B2 Compounds and methods for CD73 modulation and indications therefor Opna Bio SA (CH) 2023-11-07 US disclosed
WO-2022266206-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2022-12-22 WO disclosed
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2022-05-12 US disclosed
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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 (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-11807626-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ENTPD1, ADORA2A SLC6A2 64/4885SLC6A4 237/4885SLC6A3 87/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 SLC6A2 4053/4885SLC6A4 3586/4885SLC6A3 1858/4885
US-20220144805-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ENTPD1, ADORA2A SLC6A2 63/4885SLC6A4 224/4885SLC6A3 85/4885

“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.