SCHEMBL13964352

SCHEMBL13964352

CC(=O)[C@@H](NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)[C@@H](C)O

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
SCHEMBL16448429 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094026-A1 METHODS OF TREATING DEPRESSION AND OTHER RELATED DISEASES INNOVIVA TRC HOLDINGS LLC 2018-04-05 — — US disclosed
US-9796755-B2 Methods of treating depression and other related diseases NORTHWESTERN UNIVERSITY (US) 2017-10-24 — — US disclosed
US-20170296616-A1 METHODS OF TREATING DEPRESSION USING NMDA MODULATORS INNOVIVA TRC HOLDINGS LLC 2017-10-19 — — US disclosed
US-20170049844-A1 STABLE COMPOSITIONS OF NEUROACTIVE PEPTIDES NAUREX INC. (US) 2017-02-23 — — US disclosed
US-20160345855-A1 METHODS OF TREATING BRAIN DISORDERS OR IDENTIFYING BIOMARKERS RELATED THERETO INNOVIVA TRC HOLDINGS LLC 2016-12-01 — — US disclosed
US-9340576-B2 Methods of treating depression and other related diseases NORTHWESTERN UNIVERSITY (US) 2016-05-17 — — US disclosed
US-20160002292-A1 METHODS OF TREATING DEPRESSION AND OTHER RELATED DISEASES INNOVIVA TRC HOLDINGS LLC 2016-01-07 — — US disclosed
US-9149501-B2 Methods of treating depression and other related diseases NORTHWESTERN UNIVERSITY (US) 2015-10-06 — — US disclosed
US-20150253305-A1 METHODS OF IDENTIFYING COMPOUNDS FOR TREATING DEPRESSION AND OTHER RELATED DISEASES NORTHWESTERN UNIVERSITY 2015-09-10 — — US disclosed
US-20150182582-A1 Methods of Treating Depression and Other Related Diseases INNOVIVA TRC HOLDINGS LLC 2015-07-02 — — US disclosed
US-8951968-B2 Methods of treating depression and other related diseases NORTHWESTERN UNIVERSITY (US) 2015-02-10 — — US disclosed
US-20130296248-A1 Methods of Treating Depression and Other Related Diseases INNOVIVA TRC HOLDINGS LLC 2013-11-07 — — US disclosed
US-8492340-B2 Methods of treating depression and other related diseases NORTHWESTERN UNIVERSITY (US) 2013-07-23 — — US disclosed
US-20130005662-A1 Methods of Treating Depression and Other Related Diseases INNOVIVA TRC HOLDINGS LLC 2013-01-03 — — US disclosed
US-20120295852-A1 METHODS OF TREATING DEPRESSION AND OTHER RELATED DISEASES INNOVIVA TRC HOLDINGS LLC 2012-11-22 — — 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 (9 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-20120295852-A1 METHODS OF TREATING DEPRESSION AND OTHER RELATED DISEASES GRIN2A, GRIN1, GRIN2B CAPN1 2528/4885CTSB 1229/4885DPP4 551/4885
US-20170049844-A1 STABLE COMPOSITIONS OF NEUROACTIVE PEPTIDES OPRL1, GAP43, VGF CAPN1 3641/4885CTSB 1985/4885DPP4 1017/4885
US-20180094026-A1 METHODS OF TREATING DEPRESSION AND OTHER RELATED DISEASES GRIN2A, GRIN1, GRIN2B CAPN1 2528/4885CTSB 1229/4885DPP4 551/4885
US-20160002292-A1 METHODS OF TREATING DEPRESSION AND OTHER RELATED DISEASES GRIN2A, GRIN1, GRIN2B CAPN1 2528/4885CTSB 1229/4885DPP4 551/4885
US-20130005662-A1 Methods of Treating Depression and Other Related Diseases GRIN2A, GRIN1, GRIN2B CAPN1 2528/4885CTSB 1229/4885DPP4 551/4885
US-20130296248-A1 Methods of Treating Depression and Other Related Diseases GRIN2A, GRIN1, GRIN2B CAPN1 2528/4885CTSB 1229/4885DPP4 551/4885
US-20160345855-A1 METHODS OF TREATING BRAIN DISORDERS OR IDENTIFYING BIOMARKERS RELATED THERETO PYGB, S100B, FABP7 CAPN1 784/4885CTSB 95/4885DPP4 2041/4885
US-20170296616-A1 METHODS OF TREATING DEPRESSION USING NMDA MODULATORS GRIN2A, GRIN1, GRIN2B CAPN1 2606/4885CTSB 3849/4885DPP4 2415/4885
US-20150182582-A1 Methods of Treating Depression and Other Related Diseases GRIN2A, GRIN1, GRIN2B CAPN1 2528/4885CTSB 1229/4885DPP4 551/4885

“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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