SCHEMBL8615413

SCHEMBL8615413

CCCC[C@H](N)C(=O)NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.60
POLB P06746 1/20 0.56
KCNH2 Q12809 2/20 0.54
TLR2 O60603 1/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CTSK P43235 1/20 0.53
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 1/20 0.52
RRM1 P23921 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
KDM4E B2RXH2 1/20 0.51
KDM4A O75164 1/20 0.50
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50

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
Hydrochloric Acid SCHEMBL8615285 0.99 DPP7 (0.59) DPP7POLBKCNH2TLR2CYP2C9
SCHEMBL10626773 0.93 DPP7 (0.63) DPP7CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL10626768 0.93 DPP7 (0.63) DPP7CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL14444028 0.86 POLB (0.55) POLBKCNH2CYP2C9CYP2C19CYP2D6
SCHEMBL30889119 0.86 MMP2 (0.67) POLBTLR2CYP2C9CYP2C19CYP2D6
SCHEMBL7272130 0.85 SPHK1 (0.61) DPP7POLBTLR2CTSKKMT2A
SCHEMBL20366256 0.85 MMP2 (0.55) DPP7POLBKCNH2CYP2C9CYP2C19
SCHEMBL13073492 0.85 POLB (0.66) POLBCYP2C9CYP2C19CYP2D6KMT2A
SCHEMBL13073332 0.85 POLB (0.66) POLBCYP2C9CYP2C19CYP2D6KMT2A
SCHEMBL5322284 0.83 POLB (0.59) POLBCYP2C9CYP2C19CYP1A2CTSK

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-20170233443-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2017-08-17 US disclosed
US-9683019-B2 Cyclic polypeptides for the treatment of heart failure NOVARTIS AG (CH) 2017-06-20 US disclosed
US-20160108091-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-9266925-B2 Cyclic polypeptides for the treatment of heart failure NOVARTIS AG (CH) 2016-02-23 US disclosed
US-20150031604-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NOVARTIS AG (CH) 2015-01-29 US disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP 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 (3 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-20150031604-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NPY1R, ACKR3, IAPP DPP7 1563/4885POLB 1730/4885KCNH2 674/4885
US-20170233443-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NPY1R, ACKR3, IAPP DPP7 1563/4885POLB 1730/4885KCNH2 674/4885
US-20160108091-A1 CYCLIC POLYPEPTIDES FOR THE TREATMENT OF HEART FAILURE NPY1R, ACKR3, IAPP DPP7 1563/4885POLB 1730/4885KCNH2 674/4885

“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.