SCHEMBL15936985

SCHEMBL15936985

O=C1N(Cc2ccccc2)CC12CCCN2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.50
RIPK1 Q13546 1/20 0.47
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
GAA P10253 1/20 0.39
ELANE P08246 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1951070 0.87 KMT2A (0.64) KMT2AMEN1RIPK1DDB1CRBN
SCHEMBL14016406 0.87 KMT2A (0.56) KMT2AMEN1RIPK1DDB1CRBN
SCHEMBL21225566 0.82 KMT2A (0.46) KMT2AMEN1RIPK1DDB1CRBN
SCHEMBL21225405 0.81 KMT2A (0.51) KMT2AMEN1RIPK1DDB1CRBN
SCHEMBL17352353 0.78 KMT2A (0.32) KMT2ADDB1CRBNCYP2D6TSHR
SCHEMBL21228069 0.73 GAA (0.46) KMT2AMEN1RIPK1DDB1CRBN
SCHEMBL21228085 0.73 KMT2A (0.43) KMT2AMEN1RIPK1DDB1CRBN
SCHEMBL25291191 0.72 CYP2D6 (0.51) KMT2AMEN1CYP2D6TSHRCYP3A4
SCHEMBL19838504 0.71 RIPK1 (0.51) KMT2AMEN1RIPK1DDB1CRBN
SCHEMBL15937141 0.71 PIK3CD (0.39) POLB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253032-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-04-09 US disclosed
EP-2951186-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2018-07-25 EP disclosed
EP-2951186-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2018-07-25 EP disclosed
US-20180155354-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-06-07 US disclosed
US-20180155354-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-06-07 US disclosed
US-9738650-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-08-22 US disclosed
US-9738650-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-08-22 US disclosed
US-9738650-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-08-22 US disclosed
US-20150376195-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-31 US disclosed
US-20150376195-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-31 US disclosed
US-20150376195-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-31 US disclosed
WO-2014120789-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. (US) 2014-08-07 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 (3 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-10253032-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A KMT2A 1466/4885MEN1 2012/4885RIPK1 965/4885
US-20150376195-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KMT2A 1466/4885MEN1 2012/4885RIPK1 965/4885
US-20180155354-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KMT2A 1466/4885MEN1 2012/4885RIPK1 965/4885

“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.