SCHEMBL21034838

SCHEMBL21034838

CC(C)NCc1ccc(CC(C)NCc2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.59
ALDH1A1 P00352 1/20 0.46
TRPA1 O75762 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.42
SLC6A4 P31645 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 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
SCHEMBL19474049 0.89 SIGMAR1 (0.47) SIGMAR1ALDH1A1TRPA1LMNAHPGD
SCHEMBL105263 0.89 LMNA (0.52) ALDH1A1TRPA1LMNAHPGDMAPK1
Hydrochloric Acid SCHEMBL9074406 0.87 LMNA (0.50) ALDH1A1TRPA1LMNAHPGDMAPK1
SCHEMBL13428855 0.83 LMNA (0.47) TRPA1LMNAHPGDMAPK1
SCHEMBL13995689 0.81 ALDH1A1 (0.67) SIGMAR1ALDH1A1TRPA1LMNAHPGD
SCHEMBL13995867 0.81 ALDH1A1 (0.67) SIGMAR1ALDH1A1TRPA1LMNAHPGD
SCHEMBL4680337 0.79 SIGMAR1 (0.66) SIGMAR1TRPA1LMNASLC6A4CYP1A2
SCHEMBL3271284 0.78 SIGMAR1 (0.48) SIGMAR1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL10560323 0.78 SIGMAR1 (0.63) SIGMAR1TRPA1LMNASLC6A4CYP1A2
SCHEMBL29432962 0.78 TRPA1 (0.47) SIGMAR1TRPA1HPGDSLC6A4CYP2D6

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 SIGMAR1 115/4885ALDH1A1 2489/4885TRPA1 863/4885
US-10961189-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A SIGMAR1 115/4885ALDH1A1 2489/4885TRPA1 863/4885

“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.