SCHEMBL30220106

SCHEMBL30220106

CC1(F)CN(C(=O)Cn2ccc3scc(-c4ccc(Cl)c(Cl)c4)c3c2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GRIN2B Q13224 9/20 0.37
PRKCZ Q05513 2/20 0.35
AVPR2 P30518 2/20 0.34
AVPR1A P37288 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 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
SCHEMBL18964795 1.00 ALDH1A1 (0.39) ALDH1A1GRIN2BPRKCZAVPR2AVPR1A
SCHEMBL18965124 0.93 EPHB4 (0.41) ALDH1A1GRIN2B
SCHEMBL30219967 0.93 EPHB4 (0.41) ALDH1A1GRIN2B
SCHEMBL18964789 0.93 ALDH1A1 (0.43) ALDH1A1GRIN2BAVPR2AVPR1APOLB
SCHEMBL18965119 0.93 ALDH1A1 (0.39) ALDH1A1GRIN2BPOLB
SCHEMBL30220012 0.92 ALDH1A1 (0.38) ALDH1A1GRIN2BPRKCZPOLBHTT
SCHEMBL18965057 0.92 ALDH1A1 (0.38) ALDH1A1GRIN2BPRKCZPOLBHTT
SCHEMBL30219973 0.92 GRIN2B (0.40) ALDH1A1GRIN2BPRKCZAVPR2AVPR1A
SCHEMBL18964711 0.92 GRIN2B (0.40) ALDH1A1GRIN2BPRKCZAVPR2AVPR1A
SCHEMBL18955880 0.91 ALDH1A1 (0.39) ALDH1A1GRIN2BPRKCZAVPR2AVPR1A

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-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 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-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 ALDH1A1 1771/4885GRIN2B 5/4885PRKCZ 2095/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 ALDH1A1 1771/4885GRIN2B 5/4885PRKCZ 2095/4885

“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.