SCHEMBL19657100

SCHEMBL19657100

CN1CC[C@]2(c3cccc4c3N[C@H]3N(C)CC[C@@]43[C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@H]12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.36
ACHE P22303 8/20 0.36
BCHE P06276 5/20 0.36
EHMT2 Q96KQ7 5/20 0.35
SUV39H1 O43463 2/20 0.35
NSD2 O96028 1/20 0.33
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
NSD1 Q96L73 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL20927487 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL31672721 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL29776833 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL19655969 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL19656075 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL30338080 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL1006038 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL20927482 1.00 TACR1 (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL20927481 0.99 ACHE (0.36) TACR1ACHEBCHEEHMT2SUV39H1
SCHEMBL20508875 0.99 ACHE (0.36) TACR1ACHEBCHEEHMT2SUV39H1

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 3 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
US-20170342077-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 2017-11-30 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-20190119286-A1 DIAZENE DIRECTED MODULAR SYNTHESIS OF COMPOUNDS WITH QUATERNARY CARBON CENTERS CSPP1, CBR3, NPY2R TACR1 1047/4885ACHE 1089/4885BCHE 1005/4885
US-10640508-B2 Diazene directed modular synthesis of compounds with quaternary carbon centers CSPP1, CBR3, NPY2R TACR1 1047/4885ACHE 1089/4885BCHE 1005/4885
US-20170342077-A1 DIAZENE DIRECTED MODULAR SYNTHESIS OF COMPOUNDS WITH QUATERNARY CARBON CENTERS CSPP1, CBR3, NPY2R TACR1 1047/4885ACHE 1089/4885BCHE 1005/4885

“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.