SCHEMBL1587932

SCHEMBL1587932

Fc1ccc2c(c1)C1(CCNCC1)OC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
HTR2C P28335 2/20 0.40
AVPR1A P37288 1/20 0.38
OPRL1 P41146 1/20 0.37
KMT2A Q03164 1/20 0.36
CTSC P53634 1/20 0.36
KDM1A O60341 2/20 0.36
MCHR1 Q99705 1/20 0.35
NR3C2 P08235 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35

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
Hydrochloric Acid SCHEMBL3561180 0.98 DPP4 (0.42) DPP4HTR2CAVPR1AOPRL1KMT2A
Butane SCHEMBL8575686 0.93 HTR2C (0.39) DPP4HTR2CAVPR1AOPRL1CTSC
SCHEMBL737193 0.89 DPP4 (0.42) DPP4HTR2CAVPR1ANR3C2
SCHEMBL4977596 0.84 KDM1A (0.40) DPP4HTR2COPRL1KMT2AKDM1A
SCHEMBL1588901 0.80 AVPR1A (0.38) AVPR1ACTSCKDM1ASLC5A1SLC5A2
SCHEMBL18373201 0.80 HTR2C (0.40) HTR2CCTSCKDM1A
SCHEMBL4045773 0.80 HTR2C (0.44) HTR2CAVPR1AKDM1A
SCHEMBL3745692 0.80 HTR2C (0.38) HTR2CSLC5A1SLC5A2
SCHEMBL31415656 0.77 SIGMAR1 (0.53) AVPR1A
SCHEMBL8871048 0.77 SIGMAR1 (0.53) AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
EP-3107916-A1 SPIRO-OXAZOLONES F. Hoffmann-La Roche AG (CH) 2016-12-28 EP disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
WO-2015124541-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-08-27 WO disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 US disclosed
WO-2006092731-A1 1, 2, 4-TRIAZOLE DERIVATIVES AND THEIR USE AS OXYTOCIN ANTAGONISTS PFIZER LIMTED (GB) 2006-09-08 WO disclosed
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2006-08-03 US disclosed
EP-1656349-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. Lundbeck A/S (DK) 2006-05-17 EP disclosed
US-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds ITO FUMITAKA (JP) 2005-07-14 US disclosed
US-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives H. LUNDBECK A/S (DK) 2005-03-31 US disclosed
WO-2005016913-A1 TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS PFIZER JAPAN, INC. (JP) 2005-02-24 WO disclosed
WO-2005016884-A1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2005-02-24 WO disclosed
EP-1458714-A1 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES H. Lundbeck A/S (DK) 2004-09-22 EP disclosed
WO-2003051869-A1 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES H. LUNDBECK A/S (DK) 2003-06-26 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 (6 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-20050153998-A1 Tetrahydroisoquinoline or isochroman compounds OPRL1, NR1H3, HRH3 DPP4 3894/4885HTR2C 358/4885AVPR1A 295/4885
US-20160355522-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 DPP4 1864/4885HTR2C 63/4885AVPR1A 1/4885
US-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives KCNJ2, KCNK2, KCNJ11 DPP4 716/4885HTR2C 504/4885AVPR1A 400/4885
US-20060173027-A1 Spirocvclic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, CRHR1 DPP4 1659/4885HTR2C 50/4885AVPR1A 34/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 DPP4 2063/4885HTR2C 929/4885AVPR1A 301/4885
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 DPP4 2508/4885HTR2C 708/4885AVPR1A 76/4885

“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.