SCHEMBL21391963

SCHEMBL21391963

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
PTGS1 P23219 1/20 0.45
GRM4 Q14833 1/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.39
AR P10275 3/20 0.39
CRBN Q96SW2 1/20 0.39
HDAC1 Q13547 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL24380053 0.93 RXFP1 (0.51) RXFP1GRM4RAB9ATP53MAPT
SCHEMBL20468344 0.87 PTGS1 (0.56) RXFP1PTGS1GRM4RAB9ATP53
SCHEMBL21391991 0.85 LMNA (0.58) RXFP1PTGS1GRM4RAB9ATP53
SCHEMBL21391974 0.83 PTGS1 (0.52) RXFP1PTGS1GRM4RAB9ATP53
SCHEMBL30279461 0.83 PTGS1 (0.52) RXFP1PTGS1GRM4RAB9ATP53
SCHEMBL21081939 0.80 RXFP1 (0.47) RXFP1MAPTLMNAPOLBKDM4E
SCHEMBL20468343 0.78 PTGS1 (0.47) PTGS1GRM4RAB9AMAPTLMNA
SCHEMBL19899690 0.78 RXFP1 (0.46) RXFP1MAPTLMNAPOLBAR
SCHEMBL20577777 0.77 RXFP1 (0.53) RXFP1TRPV1CA12CA1CA9
SCHEMBL28908365 0.77 PTGS1 (0.54) PTGS1RAB9AMAPTLMNAPOLB

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-11319282-B2 Diamine compound and method for producing same LG CHEM, LTD. (KR) 2022-05-03 US disclosed
US-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME LG CHEM, LTD. (KR) 2019-09-26 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-20190292138-A1 DIAMINE COMPOUND AND METHOD FOR PRODUCING SAME DDC, CAD, AOC1 RXFP1 3537/4885PTGS1 2760/4885GRM4 2496/4885
US-11319282-B2 Diamine compound and method for producing same DDC, CAD, AOC1 RXFP1 3537/4885PTGS1 2760/4885GRM4 2496/4885

“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.