SCHEMBL16448429

SCHEMBL16448429

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nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.51
▸ CTSB P07858 1/20 0.50
▸ DPP4 P27487 7/20 0.48
▸ DPP7 Q9UHL4 6/20 0.48
▸ PREP P48147 3/20 0.48
▸ XIAP P98170 1/20 0.44
▸ GRB2 P62993 1/20 0.42
▸ ELANE P08246 2/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ FAP Q12884 3/20 0.38
▸ DPP8 Q6V1X1 3/20 0.38
▸ DPP9 Q86TI2 2/20 0.38
▸ PITRM1 Q5JRX3 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL18539497 1.00 CAPN1 (0.51) CAPN1CTSBDPP4DPP7PREP
SCHEMBL13964352 1.00 CAPN1 (0.51) CAPN1CTSBDPP4DPP7PREP
SCHEMBL24171144 1.00 CAPN1 (0.51) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL20814039 0.92 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL20678315 0.92 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL21549060 0.92 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL23859841 0.92 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL23859842 0.92 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL22213513 0.92 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL25266713 0.92 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS UNIV NORTHWESTERN (US) 2017-03-16 — — US disclosed
US-20170049844-A1 STABLE COMPOSITIONS OF NEUROACTIVE PEPTIDES NAUREX INC. (US) 2017-02-23 — — US disclosed
US-8951968-B2 Methods of treating depression and other related diseases NORTHWESTERN UNIVERSITY (US) 2015-02-10 — — 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-20170049844-A1 STABLE COMPOSITIONS OF NEUROACTIVE PEPTIDES OPRL1, GAP43, VGF CAPN1 3641/4885CTSB 1985/4885DPP4 1017/4885
US-20170072005-A1 COMBINATIONS OF NMDAR MODULATING COMPOUNDS GRIN1, GRIN2A, GRIN3A CAPN1 766/4885CTSB 3156/4885DPP4 650/4885

“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.

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