SCHEMBL21034291

SCHEMBL21034291

CC1CCC(COCc2ccccc2)(CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTR2C P28335 1/20 0.39
TACR1 P25103 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.37
EPHX2 P34913 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL26154987 0.87 TACR1 (0.45) CYP1A2TACR1ALDH1A1CYP2C9CYP2C19
SCHEMBL21034771 0.85 TACR1 (0.41) KDM4EHTR2CTACR1LMNAALDH1A1
SCHEMBL19839312 0.81 HTR2C (0.44) KDM4EHTR2CTACR1LMNAALDH1A1
SCHEMBL19839372 0.77 MAPT (0.41) KDM4EHTR2CTACR1LMNAALDH1A1
SCHEMBL5909619 0.76 CYP1A2 (0.54) CYP1A2LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL5909756 0.76 CYP1A2 (0.54) CYP1A2LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL5909545 0.76 CYP1A2 (0.54) CYP1A2LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL7621767 0.76 CYP1A2 (0.54) CYP1A2LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL27192509 0.76 ALDH1A1 (0.42) KDM4ETACR1LMNAALDH1A1TSHR
SCHEMBL2870420 0.74 CYP1A2 (0.60) CYP1A2LMNAALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-03-30 US disclosed
US-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2019-05-30 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-20190161442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CYP1A2 3747/4885KDM4E 2689/4885HTR2C 143/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A CYP1A2 3747/4885KDM4E 2689/4885HTR2C 143/4885

“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.