SCHEMBL17351850

SCHEMBL17351850

Cc1ccc(Cn2nnc(C(=O)Cl)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TSHR P16473 1/20 0.49
CYP19A1 P11511 2/20 0.48
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
KLKB1 P03952 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3328612 0.88 CYP19A1 (0.50) CYP19A1TDO2HPGDMAPTKLKB1
SCHEMBL2367846 0.88 HPGD (0.54) POLBTSHRCYP19A1NAMPTKDM4E
SCHEMBL3829134 0.86 NAMPT (0.56) POLBTSHRCYP19A1NAMPTKDM4E
SCHEMBL3821999 0.82 CYP19A1 (0.66) POLBTSHRCYP19A1MAPTSMN1; SMN2
SCHEMBL10671004 0.77 GAA (0.53) POLBTSHRHPGDSMN1; SMN2GAA
SCHEMBL795210 0.76 HPGD (0.68) POLBTSHRCYP19A1HPGDMAPT
SCHEMBL2368342 0.76 POLB (0.53) POLBCYP19A1IDO1TDO2HPGD
SCHEMBL3826559 0.76 SMN1; SMN2 (0.54) POLBTSHRCYP19A1NAMPTKDM4E
SCHEMBL2367880 0.76 CYP19A1 (0.53) CYP19A1TDO2HPGDMAPTCYP1A2
SCHEMBL28326707 0.76 NAMPT (0.46) POLBTSHRCYP19A1NAMPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316041-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-06-11 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-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
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 (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-10316041-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A POLB 4447/4885TSHR 1558/4885CYP19A1 3446/4885
US-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A POLB 4447/4885TSHR 1558/4885CYP19A1 3446/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A POLB 4447/4885TSHR 1558/4885CYP19A1 3446/4885

“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.