SCHEMBL19706413

SCHEMBL19706413

CC(C)(C)OC(=O)N1CCCCOCCN(Cc2ccccc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44

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
SCHEMBL27045311 0.98 USP2 (0.52) HPGDSMN1; SMN2USP2ALDH1A1MEN1
SCHEMBL8210703 0.87 KMT2A (0.55) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL2862442 0.82 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL18608789 0.81 MEN1 (0.58) SMN1; SMN2HTTMEN1KMT2ANPSR1
SCHEMBL13925211 0.81 CD4 (0.47) ALDH1A1MEN1KMT2AGPR119TSHR
SCHEMBL20058376 0.80 CYP2D6 (0.48) SMN1; SMN2USP2ALDH1A1MEN1KMT2A
SCHEMBL1722245 0.79 SMN1; SMN2 (0.57) SMN1; SMN2USP2ALDH1A1HTTMEN1
SCHEMBL18785460 0.79 MGLL (0.58) USP2ALDH1A1TSHROPRD1OPRK1
SCHEMBL3863834 0.78 KMT2A (0.63) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20274773 0.78 TP53 (0.50) MEN1KMT2AGPR119TSHR

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-10022359-B2 1,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-07-17 — — US disclosed
US-20170354648-A1 1,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-12-14 — — 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-20170354648-A1 1,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, OPRM1, SIGMAR1 HPGD 1047/4885SMN1; SMN2 821/4885USP2 1187/4885
US-10022359-B2 1,9-diazaspiro undecane compounds having multimodal activity against pain OPRD1, OPRM1, SIGMAR1 HPGD 1047/4885SMN1; SMN2 821/4885USP2 1187/4885

“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.

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