SCHEMBL20188058

SCHEMBL20188058

NCC(=O)N1CCCCC1C(=O)NC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
F2 P00734 4/20 0.42
PRSS1 P07477 2/20 0.42
TACR1 P25103 3/20 0.40
CPT2 P23786 2/20 0.40
CPT1A P50416 2/20 0.40
PTGER4 P35408 2/20 0.40
ELANE P08246 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
FKBP1A P62942 1/20 0.39
CTRB1 P17538 1/20 0.39

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
SCHEMBL20188054 1.00 DPP4 (0.43) DPP4F2PRSS1TACR1CPT2
SCHEMBL24448344 0.97 DPP4 (0.46) DPP4F2PRSS1TACR1ELANE
SCHEMBL20188440 0.93 F2 (0.45) DPP4F2PRSS1TACR1CPT2
SCHEMBL20188311 0.93 F2 (0.45) DPP4F2PRSS1TACR1CPT2
SCHEMBL20190651 0.93 CTRB1 (0.41) DPP4F2PRSS1ITGB3ITGA2B
SCHEMBL20190649 0.93 CTRB1 (0.41) DPP4F2PRSS1ITGB3ITGA2B
SCHEMBL20187749 0.89 PTGER4 (0.40) DPP4F2PRSS1CPT2CPT1A
SCHEMBL20187751 0.89 PTGER4 (0.40) DPP4F2PRSS1CPT2CPT1A
SCHEMBL28389317 0.87 DPP4 (0.46) DPP4F2PRSS1TACR1ELANE
SCHEMBL18094995 0.87 DPP4 (0.46) DPP4F2PRSS1TACR1ELANE

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 DPP4 751/4885F2 1668/4885PRSS1 1008/4885
US-11358935-B2 Prodrugs of lanicemine and their method of use GRIN3A, GRIN1, GRM3 DPP4 751/4885F2 1668/4885PRSS1 1008/4885

“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.