Sugi Predict

Sugi Predict / Compounds / SCHEMBL240629

SCHEMBL240629

SCHEMBL240629

COc1ccc(C2(O)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.73
▸ POLB P06746 1/20 0.71
▸ CCR3 P51677 1/20 0.70
▸ SIGMAR1 Q99720 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ DRD2 P14416 1/20 0.62
▸ DRD4 P21917 1/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ OPRM1 P35372 2/20 0.61
▸ OPRD1 P41143 2/20 0.61
▸ OPRK1 P41145 2/20 0.61
▸ CYP2D6 P10635 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ SLC6A1 P30531 1/20 0.58
▸ SLC6A12 P48065 1/20 0.58
▸ SLC6A11 P48066 1/20 0.58
▸ CCR1 P32246 1/20 0.56

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
SCHEMBL7968189 0.89 KMT2A (0.65) OPRL1POLBCCR3SIGMAR1ALDH1A1
SCHEMBL381873 0.87 OPRL1 (0.75) OPRL1POLBCCR3SIGMAR1ALDH1A1
SCHEMBL7040756 0.85 HTR1D (0.62) OPRL1POLBCCR3SIGMAR1ALDH1A1
SCHEMBL4816046 0.85 ALDH1A1 (0.80) OPRL1POLBCCR3SIGMAR1ALDH1A1
SCHEMBL1411499 0.85 OPRL1 (1.00) OPRL1POLBCCR3SIGMAR1KMT2A
SCHEMBL5258408 0.85 OPRL1 (0.71) OPRL1POLBCCR3ALDH1A1MEN1
SCHEMBL30976376 0.84 SIGMAR1 (0.68) POLBSIGMAR1MEN1LMNAKMT2A
SCHEMBL17825434 0.84 OPRL1 (0.66) OPRL1POLBCCR3ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6288091 0.84 ALDH1A1 (0.78) OPRL1POLBCCR3SIGMAR1ALDH1A1
SCHEMBL4265747 0.84 CYP2D6 (0.58) OPRL1POLBCCR3SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 — — US disclosed
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 — — US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 — — US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 — — US disclosed
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 — — US disclosed
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 — — US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 — — US disclosed
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 — — US disclosed
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 — — EP disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 — — US disclosed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 — — WO disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 — — EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 — — WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 — — US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 — — US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 — — EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 — — 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 (7 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS OPRL1 4235/4885POLB 138/4885CCR3 1125/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRL1 28/4885POLB 2801/4885CCR3 3917/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRL1 28/4885POLB 2801/4885CCR3 3917/4885
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF ADRB3, ADRA2C, OPRK1 OPRL1 9/4885POLB 4026/4885CCR3 196/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRL1 28/4885POLB 2801/4885CCR3 3917/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 OPRL1 1154/4885POLB 952/4885CCR3 3286/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRL1 28/4885POLB 2801/4885CCR3 3917/4885

“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.