SCHEMBL20188112

SCHEMBL20188112

C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
PSMB5 P28074 1/20 0.45
MME P08473 2/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 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
SCHEMBL20188114 1.00 CTRB1 (0.49) CTRB1TSHRCYP1A2CYP2D6MAPT
SCHEMBL20188303 0.92 TSHR (0.47) TSHRCYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL20188307 0.92 TSHR (0.47) TSHRCYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL20188629 0.86 GRIN2D (0.48) CTRB1TSHRCYP1A2CYP2D6MAPT
SCHEMBL20188632 0.86 GRIN2D (0.48) CTRB1TSHRCYP1A2CYP2D6MAPT
SCHEMBL20188350 0.86 KMT2A (0.49) TSHRCYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL20188346 0.86 KMT2A (0.49) TSHRCYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL20188691 0.84 KMT2A (0.47) TSHRCYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL20188694 0.84 KMT2A (0.47) TSHRCYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL20187726 0.82 TSHR (0.47) TSHRCYP1A2CYP2D6MAPTSMN1; SMN2

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-11358935-B2 Prodrugs of lanicemine and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-06-14 US claimed
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. 2020-09-24 US claimed
WO-2018098344-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2018-05-31 WO claimed
US-11358935-B2 Prodrugs of lanicemine and their method of use BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-06-14 US disclosed
US-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. 2020-09-24 US disclosed
WO-2018098344-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2018-05-31 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 (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-20200299238-A1 PRODRUGS OF LANICEMINE AND THEIR METHOD OF USE GRIN3A, GRIN1, GRM3 CTRB1 2717/4885TSHR 2200/4885CYP1A2 201/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 CTRB1 2717/4885TSHR 2200/4885CYP1A2 201/4885

“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.