SCHEMBL18626013

SCHEMBL18626013

O=C(CN1CCCC1C(=O)Cl)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.50
MMEL1 Q495T6 1/20 0.50
FKBP1A P62942 5/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
CTRB1 P17538 1/20 0.45
PREP P48147 3/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL24705627 1.00 SPHK1 (0.50) SPHK1MMEL1FKBP1AALDH1A1SMN1; SMN2
SCHEMBL20966402 0.90 SPHK1 (0.58) SPHK1MMEL1FKBP1AALDH1A1SMN1; SMN2
SCHEMBL14836855 0.90 MMEL1 (0.52) SPHK1MMEL1FKBP1AALDH1A1SMN1; SMN2
SCHEMBL19880370 0.86 SMN1; SMN2 (0.51) MMEL1FKBP1AALDH1A1SMN1; SMN2MAPK1
SCHEMBL19880369 0.86 SMN1; SMN2 (0.51) MMEL1FKBP1AALDH1A1SMN1; SMN2MAPK1
SCHEMBL18734805 0.86 SMN1; SMN2 (0.51) MMEL1FKBP1AALDH1A1SMN1; SMN2MAPK1
SCHEMBL2707345 0.85 MMEL1 (0.58) MMEL1FKBP1AALDH1A1CTRB1PREP
SCHEMBL20966406 0.85 MMEL1 (0.53) SPHK1MMEL1FKBP1ASMN1; SMN2CYP2C19
SCHEMBL934366 0.85 MMEL1 (0.58) MMEL1FKBP1AALDH1A1CTRB1PREP
SCHEMBL20993944 0.84 MMEL1 (0.65) MMEL1FKBP1AALDH1A1SMN1; SMN2CYP2C19

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-20210332061-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2021-10-28 US disclosed
US-10906913-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2021-02-02 US disclosed
US-20190077807-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NAUREX, INC. 2019-03-14 US disclosed
US-9802946-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-10-31 US disclosed
US-9593145-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-03-14 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-20190077807-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A SPHK1 3133/4885MMEL1 710/4885FKBP1A 3138/4885
US-20210332061-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A SPHK1 3133/4885MMEL1 710/4885FKBP1A 3138/4885
US-10906913-B2 NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A SPHK1 3133/4885MMEL1 710/4885FKBP1A 3138/4885

“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.