SCHEMBL3704071

SCHEMBL3704071

CNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CTSH P09668 1/20 0.54
CYP2D6 P10635 1/20 0.54
CTSK P43235 1/20 0.54
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MME P08473 4/20 0.51
ACE P12821 4/20 0.51
CPA1 P15085 4/20 0.51
ACE2 Q9BYF1 4/20 0.51
SRR Q9GZT4 2/20 0.50
PSAT1 Q9Y617 2/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL3704073 1.00 CTSC (0.54) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL7648961 0.90 SLC7A5 (0.63) CTSCALPIPKMPTGS1XIAP
SCHEMBL989802 0.90 SLC7A5 (0.63) CTSCALPIPKMPTGS1XIAP
SCHEMBL583592 0.90 SLC7A5 (0.63) CTSCALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1262434 0.88 SLC7A5 (0.61) CTSCALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6164804 0.88 SLC7A5 (0.61) CTSCALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6164795 0.88 SLC7A5 (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL14123988 0.86 OPRD1 (0.53) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL12377253 0.84 CTSC (0.59) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL18554025 0.84 CTSC (0.59) CTSCCYP1A2CYP3A4CTSHCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
US-8877815-B2 Substituted carbamoylcycloalkyl acetic acid derivatives as NEP NOVARTIS AG (CH) 2014-11-04 US disclosed
EP-2640689-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
CN-103249715-A Substituted carbamoylcycloalkyl acetic acid derivatives as NEP inhibitors NOVARTIS AG 2013-08-14 CN disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
US-5700838-A Hydroxamic acid derivatives as metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-12-23 US disclosed
EP-0651739-B1 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1997-04-09 EP disclosed
EP-0754688-A2 Dioxolane intermediates BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-22 EP disclosed
EP-0651739-A1 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEINASE INHIBITORS. BRITISH BIOTECH PHARM (GB) 1995-05-10 EP disclosed
WO-1994002447-A1 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-02-03 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 CTSC 71/4885CYP1A2 1025/4885CYP3A4 1140/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CTSC 1384/4885CYP1A2 24/4885CYP3A4 42/4885

“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.