SCHEMBL18375130

SCHEMBL18375130

CC(=O)N1C2CCC1CN(C(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 8/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRM5 P41594 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
SCHEMBL20008986 1.00 SMN1; SMN2 (0.37) SMN1; SMN2HRH3CYP2D6KCNH2GRM5
SCHEMBL17856434 0.88 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL21722669 0.83 HRH3 (0.33) HRH3CYP2D6KCNH2
SCHEMBL15196701 0.82 ALDH1A1 (0.42) HRH3CYP2D6KCNH2
SCHEMBL26203667 0.80 ALDH1A1 (0.32) HRH3CYP2D6KCNH2
SCHEMBL7851975 0.80 HRH3 (0.41) HRH3
SCHEMBL20009059 0.80 GRM5 (0.35) SMN1; SMN2HRH3CYP2D6KCNH2GRM5
SCHEMBL20682344 0.79 TSHR (0.38) KCNH2GRM5
SCHEMBL20009056 0.79 HRH3 (0.37) HRH3CYP2D6KCNH2
SCHEMBL26203664 0.79 DPP4 (0.37)

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-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2019-09-24 US disclosed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
WO-2017007755-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2017-01-12 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 (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-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC5 SMN1; SMN2 1390/4885HRH3 165/4885CYP2D6 3549/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 SMN1; SMN2 176/4885HRH3 203/4885CYP2D6 4116/4885
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC5 SMN1; SMN2 1390/4885HRH3 165/4885CYP2D6 3549/4885

“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.