SCHEMBL3222218

SCHEMBL3222218

OC1(CNc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR3 P51677 1/20 0.47
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL17325170 0.91 OPRL1 (0.58) OPRL1POLBKMT2ACCR3CYP3A4
SCHEMBL19322400 0.87 OPRL1 (0.53) OPRL1POLBKDM4EKMT2ACCR3
Hydrochloric Acid SCHEMBL9179035 0.85 POLB (0.54) OPRL1POLBKDM4EKMT2ACCR3
Hydrochloric Acid SCHEMBL9718148 0.85 POLB (0.54) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL9175281 0.83 OPRL1 (0.49) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL17606266 0.83 OPRL1 (0.49) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL9179575 0.82 OPRL1 (0.48) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL17606641 0.82 ACHE (0.50) OPRL1POLBKDM4EKMT2A
SCHEMBL3368028 0.82 OPRL1 (0.48) OPRL1POLBKDM4EKMT2ACCR3
SCHEMBL9178518 0.82 OPRL1 (0.48) OPRL1POLBKDM4EKMT2ACCR3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339597-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-10-29 US disclosed
US-20200339597-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-10-29 US disclosed
US-10703765-B2 Alkyl and aryl derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-07-07 US disclosed
US-10703765-B2 Alkyl and aryl derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-07-07 US disclosed
US-20170101420-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-04-13 US disclosed
US-20170101420-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-04-13 US disclosed
US-20170101420-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-04-13 US disclosed
WO-2015185207-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-12-10 WO disclosed
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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 (4 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 OPRL1 2318/4885POLB 3521/4885KDM4E 1020/4885
US-10703765-B2 Alkyl and aryl derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain OPRD1, SIGMAR1, OPRM1 OPRL1 4/4885POLB 1735/4885KDM4E 2898/4885
US-20170101420-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 OPRL1 4/4885POLB 1735/4885KDM4E 2898/4885
US-20200339597-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 OPRL1 4/4885POLB 1735/4885KDM4E 2898/4885

“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.