SCHEMBL329925

SCHEMBL329925

c1ccc2c(c1)CCNC2CN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.57
PRCP P42785 5/20 0.55
SLC22A1 O15245 1/20 0.55
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL330238 1.00 OPRM1 (0.57) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL329828 1.00 OPRM1 (0.57) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL3453173 0.98 OPRM1 (0.56) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL329886 0.85 OPRM1 (0.59) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL8790382 0.84 OPRM1 (0.49) OPRM1PRCPSLC22A1SMN1; SMN2KDM4E
SCHEMBL9530399 0.84 OPRM1 (0.54) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9423819 0.83 PRCP (0.56) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373834 0.81 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373842 0.81 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2
SCHEMBL9373828 0.81 PRCP (0.51) OPRM1PRCPSLC22A1GAASMN1; SMN2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP claimed
WO-1996005817-A1 MEDICAMENT FOR TREATMENT OR PROPHYLAXIS OF INCONTINENCE MEDINNOVA SF (NO) 1996-02-29 WO claimed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US claimed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP claimed
JP-4270219-A None JP disclosed
CN-103145715-B Huge ring carboxylic acid and acyl sulfonamides as HCV replication inhibitors F·霍夫曼-罗须公司 2016-08-03 CN disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
JP-H04270219-A GASTRIC ACID SECRETION INHIBITOR ELI LILLY & CO 1992-09-25 JP disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
US-5041451-A Analgesics, hypotensive agents DR. LO. ZAMBELLETTI SPA (IT) 1991-08-20 US disclosed
EP-0370732-A2 Heterocyclic compounds containing nitrogen SmithKline Beecham Farmaceutici S.p.A. (IT) 1990-05-30 EP 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 OPRM1 3264/4885PRCP 974/4885SLC22A1 3482/4885

“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.