SCHEMBL6450318

SCHEMBL6450318

COc1ccc(CN2CN(Cc3ccc(OC)cc3)CN(Cc3ccc(OC)cc3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.65
PTGIR P43119 1/20 0.59
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.57
CMA1 P23946 1/20 0.57
CHKA P35790 1/20 0.54
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
IDO1 P14902 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL19285228 0.87 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRALDH1A1LMNA
SCHEMBL20804352 0.87 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRALDH1A1LMNA
SCHEMBL1043952 0.87 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRALDH1A1LMNA
SCHEMBL3171551 0.83 PTGIR (0.81) SIGMAR1SMN1; SMN2PTGIRALDH1A1KDM4E
SCHEMBL2429828 0.83 SIGMAR1 (0.62) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL1045927 0.83 PTGIR (0.75) SIGMAR1SMN1; SMN2PTGIRKDM4ECHKA
Hydrochloric Acid SCHEMBL23850638 0.82 PTGIR (0.73) SIGMAR1SMN1; SMN2PTGIRKDM4ECHKA
SCHEMBL1045386 0.82 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRKDM4ECHKA
SCHEMBL12616547 0.82 SIGMAR1 (0.61) SIGMAR1SMN1; SMN2PTGIRMAPTALDH1A1
SCHEMBL1043090 0.82 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRKDM4ECHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-04-30 US disclosed
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-06-28 US disclosed
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-06-28 US disclosed
US-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-05-10 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-9708335-B2 Spiro-lactam NMDA receptor modulators and uses thereof Apytinyx Inc. (US) 2017-07-18 US disclosed
US-9708335-B2 Spiro-lactam NMDA receptor modulators and uses thereof Apytinyx Inc. (US) 2017-07-18 US disclosed
EP-2951185-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2016-12-21 EP disclosed
CN-105308049-A Spiro-lactam nmda receptor modulators and uses thereof NAUREX INC 2016-02-03 CN disclosed
WO-2014120786-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 WO disclosed
EP-1539694-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed
EP-0126709-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AZETIDINONES CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4656165-A Aminomethyl penem compounds CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
US-4614614-A Process for the manufacture of optically active azetidinones CIBA-GEIGY CORPORATION (US) 1986-09-30 US disclosed
EP-0148128-A2 Optically active penem compounds CIBA-GEIGY AG (CH) 1985-07-10 EP disclosed
EP-0126709-A1 Process for the preparation of optically active azetidinones CIBA-GEIGY AG (CH) 1984-11-28 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-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A SIGMAR1 117/4885SMN1; SMN2 913/4885PTGIR 712/4885
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT SIGMAR1 472/4885SMN1; SMN2 1171/4885PTGIR 962/4885
US-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A SIGMAR1 117/4885SMN1; SMN2 913/4885PTGIR 712/4885
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A SIGMAR1 117/4885SMN1; SMN2 913/4885PTGIR 712/4885

“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.