Sugi Predict

Sugi Predict / Compounds / SCHEMBL1159331

SCHEMBL1159331

SCHEMBL1159331

O=C(C1CCC1)N1CCCNCC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.74
▸ CHRNA3 P32297 3/20 0.74
▸ CHRNA4 P43681 3/20 0.74
▸ CHRNB3 Q05901 3/20 0.74
▸ CHRNA6 Q15825 3/20 0.74
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KMT2A Q03164 1/20 0.49
▸ CA2 P00918 1/20 0.48
▸ CHKA P35790 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL26126254 0.94 CHRNB2 (0.84) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL911817 0.94 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1706129 0.92 CHRNB2 (0.74) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL911091 0.90 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22672736 0.88 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22672737 0.88 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7787652 0.88 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22672738 0.88 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL930742 0.88 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4630620 0.88 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
EP-3013823-B1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2017-11-01 — — EP disclosed
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — US disclosed
WO-2014209978-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — WO disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — WO disclosed
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 — — US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 — — US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — WO disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — WO disclosed
EP-2252611-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. Organon (NL) 2010-11-24 — — EP disclosed
WO-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 — — WO disclosed
WO-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 — — 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 (5 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-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR CHRNB2 1633/4885CHRNA3 523/4885CHRNA4 997/4885
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 CHRNB2 4670/4885CHRNA3 4501/4885CHRNA4 4349/4885
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CHRNB2 1633/4885CHRNA3 523/4885CHRNA4 997/4885
US-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 CHRNB2 4777/4885CHRNA3 4702/4885CHRNA4 4787/4885
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR CHRNB2 1122/4885CHRNA3 561/4885CHRNA4 704/4885

“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.