SCHEMBL20927481

SCHEMBL20927481

CN1CC[C@]2(c3cccc4c3N[C@H]3N(C)CCC43[C@]34CCN(C)[C@H]3Nc3c([C@]56CCN(C)[C@H]5Nc5ccccc56)cccc34)c3ccccc3NC12

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.36
BCHE P06276 5/20 0.36
TACR1 P25103 1/20 0.34
EHMT2 Q96KQ7 3/20 0.34
SUV39H1 O43463 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CNR1 P21554 1/20 0.32
PTPN1 P18031 1/20 0.32
NR1H2 P55055 1/20 0.31

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
SCHEMBL19657132 1.00 ACHE (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL20508875 1.00 ACHE (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL19656080 1.00 ACHE (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL19657099 1.00 ACHE (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL29386566 1.00 ACHE (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL19655967 1.00 ACHE (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL20927482 0.99 TACR1 (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL1006038 0.99 TACR1 (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL19655969 0.99 TACR1 (0.36) ACHEBCHETACR1EHMT2SUV39H1
SCHEMBL20927487 0.99 TACR1 (0.36) ACHEBCHETACR1EHMT2SUV39H1

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-10640508-B2 Diazene directed modular synthesis of compounds with quaternary carbon centers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-05-05 US disclosed
US-20190119286-A1 DIAZENE DIRECTED MODULAR SYNTHESIS OF COMPOUNDS WITH QUATERNARY CARBON CENTERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-04-25 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-20190119286-A1 DIAZENE DIRECTED MODULAR SYNTHESIS OF COMPOUNDS WITH QUATERNARY CARBON CENTERS CSPP1, CBR3, NPY2R ACHE 1089/4885BCHE 1005/4885TACR1 1047/4885
US-10640508-B2 Diazene directed modular synthesis of compounds with quaternary carbon centers CSPP1, CBR3, NPY2R ACHE 1089/4885BCHE 1005/4885TACR1 1047/4885

“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.