SCHEMBL17359159

SCHEMBL17359159

Cc1nnn(Cc2ccccc2)c1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.53
TDO2 P48775 3/20 0.53
POLB P06746 2/20 0.49
GRM2 Q14416 2/20 0.49
SLC9A1 P19634 1/20 0.49
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL19134423 0.83 POLB (0.44) IDO1TDO2POLBGRM2SLC9A1
SCHEMBL435010 0.80 KDM4E (0.54) IDO1POLBGRM2SLC9A1KDM4E
SCHEMBL19134420 0.79 CYP19A1 (0.42) IDO1TDO2POLBGRM2SLC9A1
SCHEMBL28331497 0.76 CYP19A1 (0.58) IDO1TDO2POLBGRM2SLC9A1
SCHEMBL5276052 0.74 SLC9A1 (0.38) GRM2SLC9A1KDM4EALDH1A1MAPK1
SCHEMBL15937046 0.73 POLB (0.55) IDO1POLBGRM2SLC9A1LMNA
SCHEMBL4408776 0.72 ALDH1A1 (0.60) POLBKDM4ELMNANPSR1ALDH1A1
SCHEMBL17359178 0.72 HPGD (0.50) IDO1POLBGRM2SLC9A1LMNA
SCHEMBL19531685 0.70 KDM4E (0.47) POLBKDM4ELMNAALDH1A1TSHR
Acetic Acid SCHEMBL28342240 0.70 CYP19A1 (0.62) IDO1TDO2POLBGRM2SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-05-10 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
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US 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 (2 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-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A IDO1 2987/4885TDO2 3848/4885POLB 4447/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A IDO1 2987/4885TDO2 3848/4885POLB 4447/4885

“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.