SCHEMBL19853769

SCHEMBL19853769

NC(=O)CN1CC2(CCCCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
RIPK1 Q13546 1/20 0.35
OPRM1 P35372 5/20 0.35
OPRL1 P41146 5/20 0.35
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19853789 0.83 APEX1 (0.47) TSHRAPEX1BLMRIPK1OPRM1
SCHEMBL19839384 0.81 BLM (0.39) TSHRAPEX1BLMRIPK1OPRM1
SCHEMBL19853794 0.76 APEX1 (0.35) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL21107659 0.74 TSHR (0.35) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL19838879 0.74 TSHR (0.35) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL21034922 0.74 OPRK1 (0.35) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL21034514 0.74 PKM (0.36) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL19854298 0.74 OPRM1 (0.34) TSHRAPEX1BLMRIPK1OPRM1
SCHEMBL20130441 0.73 TSHR (0.40) TSHRAPEX1BLMOPRM1OPRL1
SCHEMBL21237509 0.73 TSHR (0.41) TSHRAPEX1BLMRIPK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-09-01 US disclosed
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2022-01-06 US disclosed
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 US disclosed
WO-2021021996-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR APTINYX INC. (US) 2021-02-04 WO disclosed
US-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-05-30 US disclosed
WO-2018026763-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 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 (4 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-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A TSHR 1842/4885APEX1 4006/4885BLM 3585/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A TSHR 1842/4885APEX1 4006/4885BLM 3585/4885
US-20220273629-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR GRIN2A, GRIN2B, GRIN1 TSHR 1400/4885APEX1 3379/4885BLM 4221/4885
US-20220002242-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A TSHR 1842/4885APEX1 4006/4885BLM 3585/4885

“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.