Sugi Predict

Sugi Predict / Compounds / SCHEMBL19627463

SCHEMBL19627463

SCHEMBL19627463

C[C@@H](OCc1ccccc1)[C@@H](C(=O)OCc1ccccc1)N1C[C@]2(CCCN2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL19627475 1.00 ALDH1A1 (0.36) ALDH1A1NPC1GAAMAPK1RAB9A
SCHEMBL17712401 1.00 ALDH1A1 (0.36) ALDH1A1NPC1GAAMAPK1RAB9A
SCHEMBL19614448 0.92 KMT2A (0.36) CYP2C9CYP2C19
SCHEMBL19614440 0.92 KMT2A (0.36) CYP2C9CYP2C19
SCHEMBL18319673 0.92 KMT2A (0.36) CYP2C9CYP2C19
SCHEMBL19614443 0.92 KMT2A (0.36) CYP2C9CYP2C19
SCHEMBL19614445 0.92 KMT2A (0.36) CYP2C9CYP2C19
SCHEMBL19853751 0.83 FKBP1A (0.37) ALDH1A1NPC1GAAMAPK1RAB9A
SCHEMBL30801677 0.82 ALDH1A1 (0.35) ALDH1A1NPC1GAAMAPK1RAB9A
SCHEMBL22863046 0.80 GAA (0.36) ALDH1A1NPC1GAAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195179-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-02-05 — — US disclosed
US-20180092879-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-04-05 — — US disclosed
US-20180092879-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-04-05 — — US disclosed
US-9925169-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2018-03-27 — — US disclosed
US-9925169-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2018-03-27 — — US disclosed
US-20170333395-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2017-11-23 — — US disclosed
US-20170333395-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2017-11-23 — — 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-20170333395-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A ALDH1A1 2288/4885NPC1 1322/4885GAA 2073/4885
US-10195179-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A ALDH1A1 2288/4885NPC1 1322/4885GAA 2073/4885
US-20180092879-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A ALDH1A1 2288/4885NPC1 1322/4885GAA 2073/4885

“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.